ChemicalBook--->CAS DataBase List--->179943-57-8

179943-57-8

179943-57-8 Structure

179943-57-8 Structure
IdentificationBack Directory
[Name]

7-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
[CAS]

179943-57-8
[Synonyms]

7-bromo-4-hydroxyquinoline-3-carboxylate
Ethyl7-BroMo-4-hydroxy-3-quinolinecarboxylate
Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate
Ethyl 4-hydroxy-7-broMoquinoline-3-carboxylate
3-Quinolinecarboxylic acid, 7-bromo-4-hydroxy-, ethyl ester
7-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
[Molecular Formula]

C12H10BrNO3
[MDL Number]

MFCD00487280
[MOL File]

179943-57-8.mol
[Molecular Weight]

296.12
Chemical PropertiesBack Directory
[Melting point ]

307-309 °C
[Boiling point ]

385.5±37.0 °C(Predicted)
[density ]

1.593±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

2.16±0.50(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H332-H312-H319-H315-H302-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
[HS Code ]

2933499090
Spectrum DetailBack Directory
[Spectrum Detail]

7-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER(179943-57-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-[[(3-Bromophenyl)amino]methylene]propanedioic Acid 1,3-Diethyl Ester

351893-47-5

ethyl 7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate

208580-23-8

Dowtherm (50 mL) was added to a 100 mL two-necked round-bottomed flask and heated to 250 °C in a sand bath. Maintaining this temperature, diethyl {[(3-bromophenyl)amino]methylene}malonate (Intermediate 32, 10.0 g, 29.2 mmol) was added to the reaction system and the reaction was continued at 250 °C for 1 hour. After completion of the reaction, the reaction mixture was cooled to room temperature and a white solid was collected by filtration and dried to give ethyl 7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate 6.0 g in 69.3% yield. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 1.07 (t, 3H), 1.22 (s, 12H), 3.16 (q, 2H), 7.29 (m, 1H), 7.31 (d, 2H), 7.61 (s, 1H), 7.88 (s, 1H), 8.31 (s, 1H), 8.65 (s, 1H), and 9.44 (s, 1H).

[References]

[1] Journal of Medicinal Chemistry, 2015, vol. 58, # 14, p. 5522 - 5537
[2] Patent: WO2009/147433, 2009, A1. Location in patent: Page/Page column 279
[3] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 15, p. 4790 - 4800
[4] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 4, p. 1010 - 1013
[5] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 15, p. 5055 - 5058
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