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ChemicalBook--->CAS DataBase List--->1246549-62-1

1246549-62-1

1246549-62-1 Structure

1246549-62-1 Structure
IdentificationBack Directory
[Name]

7-Bromo-3-chloroquinoline
[CAS]

1246549-62-1
[Synonyms]

7-Bromo-3-chloroquinoline
Quinoline, 7-bromo-3-chloro-
[Molecular Formula]

C9H5BrClN
[MDL Number]

MFCD18253967
[MOL File]

1246549-62-1.mol
[Molecular Weight]

242.5
Chemical PropertiesBack Directory
[Boiling point ]

314.5±22.0 °C(Predicted)
[density ]

1.673±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

0.99±0.25(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Spectrum DetailBack Directory
[Spectrum Detail]

7-Bromo-3-chloroquinoline(1246549-62-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-AMINO-4-BROMOBENZALDEHYDE

59278-65-8

Chloroacetaldehyde diethyl acetal

621-62-5

7-Bromo-3-chloroquinoline

1246549-62-1

General procedure for the synthesis of 7-bromo-3-chloroquinoline from 2-amino-4-bromobenzaldehyde and chloroacetaldehyde diethyl acetal: 2-chloro-1,1-diethoxyethane (4.50 mL, 30.0 mmol), 2-amino-4-bromobenzaldehyde (3.00 g, 15.0 mmol), and p-toluenesulfonic acid monohydrate (0.285 g, 1.500 mmol) were dissolved in toluene (50 mL), assembled with a Dean-Stark manifold, and heated to reflux at 110 °C for 3 hours. Upon completion of the reaction, the solvent was evaporated under reduced pressure and the residue was dissolved in ethyl acetate and washed with saturated aqueous sodium bicarbonate. The aqueous layer was then extracted with ethyl acetate, the organic phases were combined, dried over anhydrous sodium sulfate and concentrated to dryness. The crude product was purified by silica gel column chromatography with 20-50% dichloromethane/hexane as eluent to give the title compound 7-bromo-3-chloroquinoline (1.97 g, 8.12 mmol, 54% yield) as a yellow solid. Mass spectrum (ESI+) m/e 241.8/243.8 [M+H]+; 1H NMR (400 MHz, DMSO-d6) δ 7.85 (dd, J = 8.84, 2.02 Hz, 1H), 7.98 (d, J = 8.59 Hz, 1H), 8.29 (d, J = 1.77 Hz, 1H), 8.65 (d, J = 2.02 Hz, 1H), 8.94 (d, J = 2.53 Hz, 1H).

[References]

[1] Patent: WO2014/108858, 2014, A1. Location in patent: Page/Page column 37, 38
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