Shanghai AoBo Bio-pharmaceutical Technology Co., Ltd

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Web: http://www.aobopharm.com
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Address: Room 5, No. 538, Cailun Road, Zhangjiang High-Tech Park, Pudong, Shanghai 201203, China
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Profile: Shanghai AoBo Bio-Pharmaceutical Technology Co., Ltd. is engaged in researching, developing, manufacturing and marketing of new pharmaceuticals and advanced intermediates and providing advanced technology services. We have the advantage of using multi-step synthesis technology and paying attention to researching and developing new technology through proprietary intellectual property rights. We specialize at developing drugs for antidepressants, antiviruses and cardiovascular purposes. We are also experienced in refining, separation and impurity control. We have currently researched and developed about twenty API projects including Temocapril HCL, with ten new projects in process.

Shanghai AoBo Bio-Pharmaceutical Technology Co., Ltd. was established in June 2004 and is located in "Chinese Medicine Valley". Our R&D center is staffed with highly educated and experienced professionals and is 900 m2, with five synthesis labs, two scale-up pilot labs and one analytical lab.

Shanghai AoBo provides technical services for medical companies, chemical enterprises and trade companies at home and abroad. Our synthesis staff can provide technical services for research of organic chemistry in Aobo and can be engaged in routine organic reactions, anhydrous reactions, hydrogenation, oxidation, amination and more. We are fully equipped with more than ten glass reactors from 5L to 50L, two 20L rotary devaporizers combined with low-temperature cooling liquid circulating pump (30L, -40°), and ten 2L rotary devaporizers combined with low-temperature cooling liquid circulating pump (5L, -20°). We specialize in synthesis of reagents, pharmaceutical intermediates, reference standards and impurities from milligram scale to kilograms scale. Shanghai AoBo also has the production capacity for APIs and pharmaceutical intermediates with ranges from mere kilos to tens of tons per month using our parent company's work shops.

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• Ethyl 3-ethoxy-3-iminopropionate hydrochloride

IUPAC Name: ethyl 3-ethoxy-3-iminopropanoate hydrochloride | CAS Registry Number: 2318-25-4
Synonyms: 05563_FLUKA, EINECS 219-028-1, Ethyl carbethoxyacetimidate hydrochloride, Diethyl malonmonoimidate hydrochloride, NSC104122, NSC 104122, SL-00129, Ethyl 3-ethoxy-3-imino-propionate hydrochloride, Ethyl beta-ethoxy-beta-iminopropionate hydrochloride, Acetic acid, (1-ethoxyformimidoyl)-, ethyl ester, hydrochloride, Ethyl .beta.-ethoxy-.beta.-iminopropionate hydrochloride, Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride, 165895-16-9

Molecular Formula:	C₇H₁₄ClNO₃	Molecular Weight:	195.643960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HYMXUYQKXCHWDC-UHFFFAOYSA-N

• Ethyl 3-fluorobenzoylformate

IUPAC Name: ethyl 2-(3-fluorophenyl)-2-oxoacetate | CAS Registry Number: 110193-59-4
Synonyms: Benzeneacetic acid,3-fluoro-a-oxo-, ethyl ester, AC1MCH6D, SureCN9954776, ACMC-1C52B, Ambap110193-59-4, CTK4A6812, MolPort-002-498-410, Ethyl (3-fluorophenyl)-oxo-acetate, Ethyl (3-fluorophenyl)(oxo)acetate;, ZINC02245437, AKOS006275882, AG-D-27467, ethyl 2-(3-fluorophenyl)-2-oxoacetate, FT-0601415, 2-(3-fluorophenyl)-2-oxoacetic acid ethyl ester, A802161, ethyl 2-(3-fluorophenyl)-2-oxidanylidene-ethanoate, I14-40568

Molecular Formula:	C₁₀H₉FO₃	Molecular Weight:	196.175063 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MOXJARUICGBSPM-UHFFFAOYSA-N

• Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

IUPAC Name: ethyl 4,4,4-trifluoro-3-hydroxybutanoate | CAS Registry Number: 372-30-5
Synonyms: ZERO/000563, ethyl 4,4,4-trifluoro-3-hydroxybutanoate

Molecular Formula:	C₆H₉F₃O₃	Molecular Weight:	186.129070 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ZWEDFBKLJILTMC-UHFFFAOYSA-N

• Ethyl 3-hydroxybenzoate

IUPAC Name: ethyl 3-hydroxybenzoate | CAS Registry Number: 7781-98-8
Synonyms: Ethyl m-hydroxybenzoate, m-Ethoxycarbonylphenol, ETHYL-3-HYDROXYBENZOATE, 251208_ALDRICH, ARONIS012688, 54650_FLUKA, Benzoic acid, 3-hydroxy-, ethyl ester, NSC32427, EINECS 231-951-1, ZINC00388755, Benzoic acid, m-hydroxy-, ethyl ester, AI3-20683, ST5211416, InChI=1/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MWSMNBYIEBRXAL-UHFFFAOYSA-N

• Ethyl 3-indoleacetate

IUPAC Name: ethyl 2-(1H-indol-3-yl)acetate | CAS Registry Number: 778-82-5
Synonyms: Ethyl indol-3-ylacetate, Ethyl beta-indolylacetate, Ethyl 3-indolylacetate, Ethyl indole-3-acetate, Ethyl .beta.-indolylacetate, Indole-3-acetic acid ethyl ester, 1H-Indole-3-acetic acid, ethyl ester, Ethyl 1H-indol-3-ylacetate, MLS000046040, INDOLE-3-ACETIC ACID, ETHYL ESTER, 274453_ALDRICH, EINECS 212-296-0, NSC 38002, NSC38002, BRN 0171682, ZINC00056627, AI3-52421, LS-82176, SMR000031649, ST5307709

Molecular Formula:	C₁₂H₁₃NO₂	Molecular Weight:	203.237120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HUDBDWIQSIGUDI-UHFFFAOYSA-N

• Ethyl 3-methoxyphenylacetate

IUPAC Name: ethyl 2-(3-methoxyphenyl)acetate | CAS Registry Number: 35553-92-5
Synonyms: ZINC00153283, EINECS 252-614-5, CID2774971, ST5406956

Molecular Formula:	C₁₁H₁₄O₃	Molecular Weight:	194.227060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XXVVNHCWPHMLEZ-UHFFFAOYSA-N

• Ethyl 3-methyl-4-nitrobenzoate

IUPAC Name: ethyl 3-methyl-4-nitrobenzoate | CAS Registry Number: 30650-90-9
Synonyms: ZINC00068082, CID2796918, ST5407042

Molecular Formula:	C₁₀H₁₁NO₄	Molecular Weight:	209.198640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OAXJZQMFWBIRKF-UHFFFAOYSA-N

• Ethyl 3-methylpyrazole-5-carboxylate

IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate | CAS Registry Number: 4027-57-0
Synonyms: NCIOpen2_000243, 558354_ALDRICH, AIDS167184, BB_SC-3685, Ethyl 5-methyl-1H-pyrazole-3-carboxylate, AIDS-167184, NSC44006, NSC62433, EINECS 223-702-0, ZINC00118756, ZINC03851823, SDCCGMLS-0066251.P001, Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester, 3-Pyrazolecarboxylic acid, 5-methyl-, ethyl ester, AG-664/25003391

Molecular Formula:	C₇H₁₀N₂O₂	Molecular Weight:	154.166500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BOTXQJAHRCGJEG-UHFFFAOYSA-N

• Ethyl 3-nitrobenzoate

IUPAC Name: ethyl 3-nitrobenzoate | CAS Registry Number: 618-98-4
Synonyms: Ethyl m-nitrobenzoate, DL-Glyceraldehyde, Ethyl-m-nitrobenzoate, m-Nitrobenzoic acid, ethyl ester, Benzoic acid, 3-nitro-, ethyl ester, NSC6762, NSC 6762, NSC32740, EINECS 210-574-6, Benzoic acid, m-nitro-, ethyl ester, NSC 32740, ZINC00153287, AI3-02745, ST5406827, Benzoic acid, m-nitro-, ethyl ester (8CI), InChI=1/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H

Molecular Formula:	C₉H₉NO₄	Molecular Weight:	195.172060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MKBIJCPQTPFQKQ-UHFFFAOYSA-N

• ethyl 3-oxo-3-(furan-3-yl)propanoate

IUPAC Name: ethyl 3-furan-3-yl-3-oxopropanoate | CAS Registry Number: 36878-91-8
Synonyms: 293466_ALDRICH, Ethyl beta-oxo-3-furanpropionate, NSC350548, CID336409, ethyl 3-furan-3-yl-3-oxopropanoate, ZINC00120372

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OVPIQFGJQAQWAJ-UHFFFAOYSA-N

• Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate

IUPAC Name: ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate | CAS Registry Number: 306936-99-2
Synonyms: ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate, ZINC00128345, AC1MCMIZ, Maybridge1_008665, CTK4G5711, HMS566B19, MolPort-001-761-365, SPB08109, AG-F-01467, KB-77094, FT-0626000, A820556, 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester, 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-[(2,4,6-trimethylphenyl)methyl]-, ethyl ester, ETHYL 3-TERT-BUTYL-1-(2,4,6-TRIMETHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE;ETHYL 3-(TERT-BUTYL)-1-(MESITYLMETHYL)-1H-PYRAZOLE-5-CARBOXYLATE

Molecular Formula:	C₂₀H₂₈N₂O₂	Molecular Weight:	328.448520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FAOFWPUQYMFDIC-UHFFFAOYSA-N

• Ethyl 3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazole-5-carboxylate

IUPAC Name: ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate | CAS Registry Number: 306936-95-8
Synonyms: ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate, ETHYL 3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE, ZINC00166897, AC1MC7AV, CTK4G5708, MolPort-000-146-804, SPB08106, AG-F-01464, KB-84624, FT-0625998, A820554, 3-(tert-Butyl)-5-(ethoxycarbonyl)-1-(3-methylbenzyl)-1H-pyrazole, 3-{[3-(tert-Butyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]methyl}toluene, 5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester, 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, ethyl ester

Molecular Formula:	C₁₈H₂₄N₂O₂	Molecular Weight:	300.395360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NAILUNOYAKADCU-UHFFFAOYSA-N

• Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate

IUPAC Name: ethyl 4-(4-methoxyphenyl)benzoate | CAS Registry Number: 732-80-9
Synonyms: 514705_ALDRICH, ZINC00403344, CID2764348, Ethyl 4'-methoxy-4-biphenylcarboxylate, 7Y-0816

Molecular Formula:	C₁₆H₁₆O₃	Molecular Weight:	256.296440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LGFDQZCUDVWAIQ-UHFFFAOYSA-N

• Ethyl 4,4,4-trifluorobutyrate

IUPAC Name: ethyl 4,4,4-trifluorobutanoate | CAS Registry Number: 371-26-6
Synonyms: 443700_ALDRICH, ethyl 4,4,4-trifluorobutanoate, ZINC02390182, CID2733273, 3S103727, 3S210846

Molecular Formula:	C₆H₉F₃O₂	Molecular Weight:	170.129670 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: PSRZMXNNQTWAGB-UHFFFAOYSA-N

• Ethyl 4,4-difluorocyclohexanecarboxylate

IUPAC Name: ethyl 4,4-difluorocyclohexane-1-carboxylate | CAS Registry Number: 178312-47-5
Synonyms: Ethyl 4,4-difluorocyclohexane-1-carboxylate, SBB054038, cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester, AG-E-28505, 4,4-Difluoro-1-(ethoxycarbonyl)cyclohexane, 4,4-Difluoro-cyclohexanecarboxylic acid ethyl ester, ETHYL4,4-DIFLUOROCYCLOHEXANECARBOXYLATE, AC1MCUUT, ACMC-209xsu, SureCN103276, CTK0H4540, MolPort-000-160-190, ANW-48076, ZINC02510719, AKOS005063515, PB20846, RP25169, RP25170, AK-42676, BR-42676

Molecular Formula:	C₉H₁₄F₂O₂	Molecular Weight:	192.203066 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HZZDWLBBNSDYQM-UHFFFAOYSA-N

• Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate

IUPAC Name: ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate | CAS Registry Number: 227958-96-5
Synonyms: ZINC00161520, PubChem6084, AC1MC5IX, CTK4F0196, MolPort-000-144-806, AG-E-65602, KM08739, RP06924, KB-83920, FT-0626057, Y8346, Ethyl 4,6-dichloro-2-(methylsulphanyl)quinoline, A816355, I14-58391, 4,6-Dichloro-3-(ethoxycarbonyl)-2-(methylthio)quinoline, ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate, ethyl 4,6-dichloro-2-(methylsulfanyl)quinoline-3-carboxylate, 4,6-dichloro-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester, ethyl 4,6-bis(chloranyl)-2-methylsulfanyl-quinoline-3-carboxylate, 3-Quinolinecarboxylicacid, 4,6-dichloro-2-(methylthio)-, ethyl ester

Molecular Formula:	C₁₃H₁₁Cl₂NO₂S	Molecular Weight:	316.202940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NRGNGBKXHHRCBD-UHFFFAOYSA-N

• Ethyl 4-(benzyloxy)benzoate

IUPAC Name: ethyl 4-(phenylmethoxy)benzoate | CAS Registry Number: 56441-55-5
Synonyms: Ethyl 4-benzyloxybenzoate, Maybridge1_006068, Brl-10894, ARONIS010260, Brl 10894, ZINC00076210, ST5407175, Benzoic acid, 4-(phenylmethoxy)-, ethyl ester

Molecular Formula:	C₁₆H₁₆O₃	Molecular Weight:	256.296440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UMOKJIWMQFEFJE-UHFFFAOYSA-N

• Ethyl 4-(butylamino)benzoate

IUPAC Name: ethyl 4-(butylamino)benzoate | CAS Registry Number: 94-32-6
Synonyms: Ethyl p-butylaminobenzoate, 439835_ALDRICH, Ethyl-(4-n-butylamino)benzoate, CID66746, EINECS 202-322-9, SBB000607, ZINC01848484, Benzoic acid, 4-(butylamino)-, ethyl ester, InChI=1/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H

Molecular Formula:	C₁₃H₁₉NO₂	Molecular Weight:	221.295460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GTXRSQYDLPYYNW-UHFFFAOYSA-N

• Ethyl 4-(trifluoromethyl)phenyl acetate

IUPAC Name: ethyl 2-[4-(trifluoromethyl)phenyl]acetate | CAS Registry Number: 721-63-1
Synonyms: ethyl 4-(trifluoromethyl)phenylacetate, ethyl 2-(4-(trifluoromethyl)phenyl)acetate, 4-(Trifluoromethyl)benzeneacetic acid ethyl ester, ethyl4-(trifluoromethyl)phenylacetate, ethyl 2-[4-(trifluoromethyl)phenyl]acetate, (4-Trifluoromethyl-phenyl)-acetic acid ethyl ester, AGN-PC-000KQF, SureCN1045007, CTK6F8457, MolPort-002-500-728, ACT09052, ANW-49817, FC1067, PC3679, SBB097891, ZINC15443449, AKOS005257426, AG-A-05428, AM83987, RP28008

Molecular Formula:	C₁₁H₁₁F₃O₂	Molecular Weight:	232.199050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: BDVKGYOFECBKDX-UHFFFAOYSA-N

• Ethyl 4-acetamido-3-nitrobenzoate

IUPAC Name: ethyl 4-acetamido-3-nitrobenzoate | CAS Registry Number: 175204-17-8
Synonyms: Oprea1_013882, MLS000861065, ZINC04381637, ethyl 4-(acetylamino)-3-nitrobenzoate, CID2826598, SMR000459849, ST5407143, SR-01000631557-1

Molecular Formula:	C₁₁H₁₂N₂O₅	Molecular Weight:	252.223380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: AQEATNDLNBFMRO-UHFFFAOYSA-N

• Ethyl 4-acetyl-5-oxohexanoate

IUPAC Name: ethyl 4-acetyl-5-oxohexanoate | CAS Registry Number: 2832-10-2
Synonyms: 301604_ALDRICH, SBB008549, FR-2248

Molecular Formula:	C₁₀H₁₆O₄	Molecular Weight:	200.231640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YRSGDLIATOURQO-UHFFFAOYSA-N

• Ethyl 4-aminophenylacetate

IUPAC Name: ethyl 2-(4-aminophenyl)acetate | CAS Registry Number: 5438-70-0
Synonyms: NSC14373, 4-Aminophenylacetic acid ethyl ester, SBB005813, ZINC00157293, Acetic acid, (p-aminophenyl)-, ethyl ester, Benzeneacetic acid, 4-amino-, ethyl ester

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CFNDVXUTYPXOPG-UHFFFAOYSA-N

• Ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC Name: 3-(4-bromophenoxy)-6-methylpyridazine | CAS Registry Number: 368869-96-9
Synonyms: 3-(4-bromophenoxy)-6-methylpyridazine, ZINC00158949, AC1Q2MQN, SureCN851116, AC1MCR17, CTK4H7339, MolPort-000-142-656, SBB102890, AKOS009096386, AG-F-29004, CC21310, RP06399, Pyridazine,3-(4-bromophenoxy)-6-methyl-, 3-(4-bromanylphenoxy)-6-methyl-pyridazine, Y8890, 4-bromo-1-(6-methylpyridazin-3-yloxy)benzene, A823436, 3-(4-BROMOPHENOXY)-6-METHYLPYRIDAZINE;BUTTPARK 96\\50-10;ETHYL 4-BROMO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE;Ethyl 4-bromo-3,5-dimethylpyrrole-2-carboxylate

Molecular Formula:	C₁₁H₉BrN₂O	Molecular Weight:	265.105960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LZEJOINDIKGWQJ-UHFFFAOYSA-N

• Ethyl 4-Bromobutyrate

IUPAC Name: ethyl 4-bromobutanoate | CAS Registry Number: 2969-81-5
Synonyms: Ethyl 4-bromobutyrate, Ethyl 4-bromobutanoate, BrCH2CH2CH2C(O)OC2H5, 167118_ALDRICH, EINECS 221-005-6, NSC133462, ZINC01720175, Butanoic acid, 4-bromo-, ethyl ester, NSC 133462, AI3-36601, Butanoic acid, 4-bromo-, ethyl ester (9CI), B-5800

Molecular Formula:	C₆H₁₁BrO₂	Molecular Weight:	195.054340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XBPOBCXHALHJFP-UHFFFAOYSA-N

• Ethyl 4-bromocrotonate

IUPAC Name: ethyl (E)-4-bromobut-2-enoate | CAS Registry Number: 37746-78-4
Synonyms: E13830_ALDRICH, Ethyl (E)-4-bromo-2-butenoate, Ethyl trans-4-bromo-2-butenoate, Ethyl (2E)-4-bromo-2-butenoate, EINECS 227-996-1, ZINC01708358, 2-Butenoic acid, 4-bromo-, ethyl ester, 4-bromo-trans-crotonic acid ethyl ester, 2-Butenoic acid, 4-bromo-, ethyl ester, (E)-, AI3-52372, TL8003844, 6065-32-3

Molecular Formula:	C₆H₉BrO₂	Molecular Weight:	193.038460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FHGRPBSDPBRTLS-ONEGZZNKSA-N

• Ethyl 4-Bromophenylacetate

IUPAC Name: ethyl 2-(4-bromophenyl)acetate | CAS Registry Number: 14062-25-0
Synonyms: Ethyl 4-bromophenylacetate, 631353_ALDRICH, ZINC02565978, CID7020609, TL806236, ST5408626

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZFDCWHPNBWPPHG-UHFFFAOYSA-N

• Ethyl 4-Chloro Acetoacetate

IUPAC Name: ethyl 4-chloro-3-oxobutanoate | CAS Registry Number: 638-07-3
Synonyms: Ethyl 4-chloroacetoacetate, Ethyl gamma-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, CCRIS 6791, ghl.PD_Mitscher_leg0.842, 180769_ALDRICH, 22813_FLUKA, EINECS 211-317-0, Butanoic acid, 4-chloro-3-oxo-, ethyl ester, BRN 1761275, ZINC01845882, Acetoacetic acid, 4-chloro-, ethyl ester, LS-13047, ST5214458, TL8004494, 4-03-00-01550 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₉ClO₃	Molecular Weight:	164.586860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N

• Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate

IUPAC Name: ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate | CAS Registry Number: 720-01-4
Synonyms: Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate, SBB053946, AG-G-82890, 4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylicacidethylester, 4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester, ZINC04255745, AC1MC6VQ, CTK5D5363, MolPort-000-146-673, ANW-54191, AKOS000320373, RP06210, AK-29466, BR-29466, EN001534, HC210316, KB-77115, TL8005045, A9394, AM20100685

Molecular Formula:	C₈H₆ClF₃N₂O₂	Molecular Weight:	254.593650 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: DSULCDCBENGHAX-UHFFFAOYSA-N

• Ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate

IUPAC Name: ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate | CAS Registry Number: 5909-24-0
Synonyms: 145963_ALDRICH, EINECS 227-619-0, NSC123534, ZINC00119543, 6N-537S, TL8003781, 4-Chloro-5-carbethoxy-2-methylthiopyrimidine, Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate, Ethyl4-chloro-2-(methylthio)-5-pyrimidinecarboxylate, 5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, ethyl ester, 4-Chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Molecular Formula:	C₈H₉ClN₂O₂S	Molecular Weight:	232.687260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SNNHLSHDDGJVDM-UHFFFAOYSA-N

• Ethyl 4-chloro-3-nitrobenzoate

IUPAC Name: ethyl 4-chloro-3-nitrobenzoate | CAS Registry Number: 16588-16-2
Synonyms: ZINC01081483, CID1268247, ST5307788

Molecular Formula:	C₉H₈ClNO₄	Molecular Weight:	229.617120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BLNLZRQIUGDTAO-UHFFFAOYSA-N

• Ethyl 4-Chloro-3-Quinolinecarboxylate

IUPAC Name: ethyl 4-chloroquinoline-3-carboxylate | CAS Registry Number: 13720-94-0
Synonyms: Bionet2_000217, Oprea1_721888, NSC109461, NSC136916, ZINC00140160, ST5182438

Molecular Formula:	C₁₂H₁₀ClNO₂	Molecular Weight:	235.666300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DWXQUAHMZWZXHP-UHFFFAOYSA-N

• Ethyl 4-chloro-5-methyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

IUPAC Name: ethyl 4-chloro-5-methyl-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate | CAS Registry Number: 245728-43-2
Synonyms: ethyl 4-chloro-5-methyl-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate, ZINC00153243, AC1MC5GU, CTK4F3933, MolPort-001-770-602, BTB09088, AG-E-73419, RP06920, FT-0626079, Y8421, A817374, ethyl 4-chloranyl-5-methyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate, 4-chloro-5-methyl-7-phenyl-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester, 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 4-chloro-5-methyl-7-phenyl-, ethyl ester, Ethyl 4-chloro-3-methyl-1-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate, tech, ETHYL 4-CHLORO-3-METHYL-1-PHENYL-1H-PYRROLO[2,3-D]PYRIMIDINE-2-CARBOXYLATE;ETHYL 4-CHLORO-5-METHYL-7-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

Molecular Formula:	C₁₆H₁₄ClN₃O₂	Molecular Weight:	315.754260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CSIMHLZSLGNDHX-UHFFFAOYSA-N

• Ethyl 4-chlorobenzoylformate

IUPAC Name: ethyl 2-(4-chlorophenyl)-2-oxoacetate | CAS Registry Number: 34966-48-8
Synonyms: ethyl 2-(4-chlorophenyl)-2-oxoacetate, ETHYL 4-CHLOROPHENYLGLYOXYLATE, SBB063091, AG-F-20137, ZINC02245430, PubChem22562, AC1MBZ05, AC1Q31WU, SureCN1525403, KSC497K7N, CTK3J7576, MolPort-000-155-184, ACT09988, ethyl (4-chlorophenyl)(oxo)acetate, AKOS009157649, AC-5768, MCULE-9746215979, QC-1568, AK-48175, BR-48175

Molecular Formula:	C₁₀H₉ClO₃	Molecular Weight:	212.629660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BIELZWDKOJZMOG-UHFFFAOYSA-N

• Ethyl 4-cyano-2-(2-cyanoethyl)butyrate

IUPAC Name: ethyl 4-cyano-2-(2-cyanoethyl)butanoate | CAS Registry Number: 162007-39-8
Synonyms: Ethyl 4-Cyano-2-(2-cyanoethyl)butyrate, 164330-34-1, CTK4D1048, AG-E-11764, ethyl 4-cyano-2-(2-cyanoethyl)butanoate, KB-201832, E0582, FT-0643566, A810558, 4-cyano-2-(2-cyanoethyl)butanoic acid ethyl ester, Butanoic acid,4-cyano-2-(2-cyanoethyl)-, ethyl ester, ETHYL 4-CYANO-2-(2-CYANOETHYL)BUTYRATE;4-CYANO-2-(2-CYANOETHYL)BUTYRIC ACID ETHYL ESTER

Molecular Formula:	C₁₀H₁₄N₂O₂	Molecular Weight:	194.230360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRGJWVDXONAJSB-UHFFFAOYSA-N

• Ethyl 4-fluoro-3-nitrobenzoate

IUPAC Name: ethyl 4-fluoro-3-nitrobenzoate | CAS Registry Number: 367-80-6
Synonyms: 4-Fluoro-3-nitrobenzoic acid ethyl ester, SBB063047, AG-F-28509, Benzoic acid, 4-fluoro-3-nitro-, ethyl ester, ACMC-209ion, SureCN1305326, KSC221S8R, Ethyl 3-nitro-4-Fluorobenzoate, Jsp006537, RARECHEM AL BI 0858, CTK1C1988, MolPort-001-771-714, AM944, ACT00985, ANW-28485, PC1485, ZINC02585983, AKOS009165658, AKOS015888123, AC-1802

Molecular Formula:	C₉H₈FNO₄	Molecular Weight:	213.162523 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: YONVBKVUSUGBQR-UHFFFAOYSA-N

• Ethyl 4-fluorobenzoate

IUPAC Name: ethyl 4-fluorobenzoate | CAS Registry Number: 451-46-7
Synonyms: Ethyl p-fluorobenzoate, 4-Fluorobenzoic acid ethyl ester, Benzoic acid, 4-fluoro-, ethyl ester, p-Fluorobenzoic acid, ethyl ester, 102644_ALDRICH, Benzoic acid, p-fluoro-, ethyl ester, 46610_FLUKA, EINECS 207-194-8, NSC190692, ZINC00388045, NSC 190692, ST5406228, TL8003131, Benzoic acid, p-fluoro-, ethyl ester (8CI)

Molecular Formula:	C₉H₉FO₂	Molecular Weight:	168.164963 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UMPRJGKLMUDRHL-UHFFFAOYSA-N

• Ethyl 4-hydroxy-1-piperidinecarboxylate

IUPAC Name: ethyl 4-hydroxypiperidine-1-carboxylate | CAS Registry Number: 65214-82-6
Synonyms: NCIOpen2_000467, NSC71891, CID96394, EINECS 265-636-5, BBV-005035, Ethyl 4-hydroxypiperidine-1-carboxylate

Molecular Formula:	C₈H₁₅NO₃	Molecular Weight:	173.209600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N

• Ethyl 4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

IUPAC Name: 5-[ethoxy(hydroxy)methylidene]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-one | CAS Registry Number: 240800-53-7
Synonyms: Ethyl 4-hydroxy-2-[3-(trifluoromethyl)phenyl]thiazole-5-carboxylate, AC1OAJSB, CTK4F2880, ZINC13122595, AG-E-71064, KB-84062, A817076, 5-[ethoxy(hydroxy)methylidene]-2-[3-(trifluoromethyl)phenyl]-4-thiazolone, 5-[ethoxy(hydroxy)methylidene]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-one, 5-[ethoxy(oxidanyl)methylidene]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-one, 5-Thiazolecarboxylicacid, 4-hydroxy-2-[3-(trifluoromethyl)phenyl]-, ethyl ester, ETHYL 4-HYDROXY-2-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBOXYLATE;ETHYL 4-HYDROXY-2-[3-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLATE

Molecular Formula:	C₁₃H₁₀F₃NO₃S	Molecular Weight:	317.283610 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: VOXKCQDOTOJJPH-UHFFFAOYSA-N

• Ethyl 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

IUPAC Name: 5-[ethoxy(hydroxy)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one | CAS Registry Number: 227199-08-8
Synonyms: Ethyl 4-hydroxy-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate, AC1OA8PE, ethyl 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, CTK1A0262, ZINC13122807, AG-E-65223, KB-83914, A816325, 5-[ethoxy(hydroxy)methylidene]-2-[4-(trifluoromethyl)phenyl]-4-thiazolone, 5-[ethoxy(hydroxy)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one, 5-[ethoxy(oxidanyl)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one, ETHYL 4-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBOXYLATE;ETHYL 4-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLATE

Molecular Formula:	C₁₃H₁₀F₃NO₃S	Molecular Weight:	317.283610 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: WFNMKNNQTPLASX-UHFFFAOYSA-N

• Ethyl 4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

IUPAC Name: ethyl 4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate | CAS Registry Number: 172516-36-8
Synonyms: ethyl 4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, AC1MCTZP, Maybridge1_004606, Oprea1_126570, CHEMBL337243, CTK6F7927, HMS554J08, CHEBI:316994, MolPort-000-144-638, AKOS015908718, AG-C-11254, KM03342, RP06515, SDCCGMLS-0066136.P001, KB-77127, FT-0626089, Y7811, A811428, I14-35092, 4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid ethyl ester

Molecular Formula:	C₁₂H₁₆O₃S₂	Molecular Weight:	272.383640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RBCWUWDOOSYVAH-UHFFFAOYSA-N

• Ethyl 4-hydroxy-6-(trifluoromethoxy)quinoline-3-carboxylate

IUPAC Name: ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate | CAS Registry Number: 175203-85-7
Synonyms: ST037380, 4-Hydroxy-6-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester, 4-Oxo-6-trifluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, ethyl 4-oxo-6-(trifluoromethoxy)hydroquinoline-3-carboxylate, ZERO/003355, Maybridge1_004964, AC1LF59P, SureCN6197990, CTK4D5569, CTK6F5692, HMS555J14, MolPort-000-155-268, MolPort-002-708-539, ANW-55549, SBB012705, STK763290, ZINC08648558, AKOS005616233, AKOS015856159, AG-A-77751

Molecular Formula:	C₁₃H₁₀F₃NO₄	Molecular Weight:	301.218010 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: FLAKCZOPSFMNJL-UHFFFAOYSA-N

• Ethyl 4-hydroxy-6-methoxyquinoline-3-carboxylate

IUPAC Name: ethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate | CAS Registry Number: 77156-78-6
Synonyms: CBMicro_035662, TimTec1_004771, Oprea1_552127, Oprea1_609048, Oprea1_843461, NSC21071, NSC196907, ZINC00053708, 3-Carbethoxy-4-hydroxy-6-methoxyquinoline, BIM-0035767.P001, ST5187325, EU-0037928, Ethyl 4-hydroxy-6-methoxy-3-quinolinecarboxylate, A2434/0103109, 5866-54-6

Molecular Formula:	C₁₃H₁₃NO₄	Molecular Weight:	247.246620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VNGGYIBIGOOVNP-UHFFFAOYSA-N

• Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate

IUPAC Name: ethyl 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylate | CAS Registry Number: 175278-35-0
Synonyms: SBB066335, ethyl 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylate, ETHYL 4-OXO-8-(TRIFLUOROMETHOXY)-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE, PubChem7577, Maybridge1_000173, AC1MC6X8, MixCom1_000327, SureCN8132372, CTK4D5855, CTK6F5698, MolPort-001-773-595, CCG-41853, ZINC16158753, AKOS015897021, AG-C-11282, AG-E-25737, AG-L-64024, TL00807, KB-83181, KB-201911

Molecular Formula:	C₁₃H₁₀F₃NO₄	Molecular Weight:	301.218010 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: MVLDLMQMSHLPLH-UHFFFAOYSA-N

• Ethyl 4-hydroxy-8-methoxyquinaldate

IUPAC Name: ethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate | CAS Registry Number: 55895-59-5
Synonyms: ETHYL 4-HYDROXY-8-METHOXYQUINOLINE-2-CARBOXYLATE, 2-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester, AC1LAVXU, AC1Q34DZ, Oprea1_712893, AC1Q33Z9, SCHEMBL8546692, CXMNCVQZLHTTBT-UHFFFAOYSA-N, AKOS024323026, ETHYL4-HYDROXY-8-METHOXYQUINALDATE, FT-0640346, ethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate, 4-Hydroxy-8-Methoxy-Quinoline-2-Carboxylic Acid Ethyl Ester

Molecular Formula:	C₁₃H₁₃NO₄	Molecular Weight:	247.246620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: CXMNCVQZLHTTBT-UHFFFAOYSA-N

• Ethyl 4-Hydroxy-8-methoxyquinoline-3-carboxylate

IUPAC Name: ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate | CAS Registry Number: 27568-04-3
Synonyms: Oprea1_108159, Oprea1_177673, Oprea1_292837, NSC196905, ZINC00117277, BAS 01120061, ST5007115, 6J-018, 8-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Molecular Formula:	C₁₃H₁₃NO₄	Molecular Weight:	247.246620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HCYNWEIHLHVPEW-UHFFFAOYSA-N

• Ethyl 4-hydroxyphenylacetate

IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate | CAS Registry Number: 17138-28-2
Synonyms: ethyl (4-hydroxyphenyl)acetate, EINECS 241-197-5, ETHYL 4-HYDROXYBENZENEACETATE, ZINC00161638, Benzeneacetic acid, 4-hydroxy-, ethyl ester, (4-Hydroxy-phenyl)-acetic acid ethylester, ST5407272, Acetic acid, (p-hydroxyphenyl)-, ethyl ester, InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HYUPPKVFCGIMDB-UHFFFAOYSA-N

• Ethyl 4-methoxybenzoylformate

IUPAC Name: ethyl 2-(4-methoxyphenyl)-2-oxoacetate | CAS Registry Number: 40140-16-7
Synonyms: Ambap5389, ZINC02571459, CID2758864

Molecular Formula:	C₁₁H₁₂O₄	Molecular Weight:	208.210580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FSFFJEWAYWRLFT-UHFFFAOYSA-N

• Ethyl 4-methyl cinnamate

IUPAC Name: ethyl 3-(4-methylphenyl)prop-2-enoate | CAS Registry Number: 20511-20-0
Synonyms: NSC338436

Molecular Formula:	C₁₂H₁₄O₂	Molecular Weight:	190.238360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMKVSWPEZCELRM-UHFFFAOYSA-N

• Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

IUPAC Name: ethyl 4-methylthiadiazole-5-carboxylate | CAS Registry Number: 18212-20-9
Synonyms: 549126_ALDRICH, ZINC00159323, ALBB-009847, CID2758878, ST5406905

Molecular Formula:	C₆H₈N₂O₂S	Molecular Weight:	172.204920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: AHPXTXGCMLOXGA-UHFFFAOYSA-N

• Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate

IUPAC Name: ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate | CAS Registry Number: 175277-03-9
Synonyms: ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, SBB066582, ethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate, ethyl4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate, ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate, 5-thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-, ethyl ester, ethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylate, ZINC00121880, AC1MC6Y4, SureCN2886858, CTK0H4492, MolPort-000-146-626, ANW-74302, AKOS005063952, AG-B-06480, RP16398, AK-63508, KB-83152, Q279, AB1007423

Molecular Formula:	C₁₄H₁₂F₃NO₂S	Molecular Weight:	315.310790 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: LPIXRQSYBTUXOQ-UHFFFAOYSA-N