ChemicalBook--->CAS DataBase List--->127827-52-5

127827-52-5

127827-52-5 Structure

127827-52-5 Structure
IdentificationBack Directory
[Name]

6-Bromo-7-fluoroquinoline
[CAS]

127827-52-5
[Synonyms]

6-Bromo-7-fluoroquinoline
Quinoline, 6-bromo-7-fluoro-
6-Bromo-7-fluoroquinoline ISO 9001:2015 REACH
[EINECS(EC#)]

817-368-0
[Molecular Formula]

C9H5BrFN
[MDL Number]

MFCD13181511
[MOL File]

127827-52-5.mol
[Molecular Weight]

226.05
Chemical PropertiesBack Directory
[Boiling point ]

295.7±20.0 °C(Predicted)
[density ]

1.647±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

3.01±0.17(Predicted)
[color ]

Off White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P260-P301+P312-P280
[HS Code ]

2933499090
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Solid
[Synthesis]

3-Fluoro-4-broMoaniline

656-65-5

Glycerol

56-81-5

6-Bromo-7-fluoroquinoline

127827-52-5

General procedure for the synthesis of 6-bromo-7-fluoroquinoline from 4-bromo-3-fluoroaniline and glycerol: Intermediate 2: (7-fluoroquinolin-6-yl)methylamine Step 1: Synthesis of 6-bromo-7-fluoroquinoline: 4-bromo-2-fluoroaniline (10 g, 52.62 mmol), ferrous sulfate (3.33 g, 11.97 mmol) and glycerol (15.78 mL) were mixed. Concentrated sulfuric acid (9.15 mL) was added slowly and the reaction mixture was heated to 140 °C. After 12 hours of reaction, the mixture was cooled to 0 °C and the pH was adjusted to 10-12 with 10% sodium hydroxide solution.The reaction mixture was filtered through diatomaceous earth and washed with ethyl acetate to separate the organic and aqueous layers. The organic layer was washed with brine solution, dried over anhydrous sodium sulfate and concentrated. The crude product was purified by column chromatography (eluent: ethyl acetate/petroleum ether) to give the title compound as a white solid (4.9 g, 44% yield). 1H-NMR (δppm, CDCl3, 400MHz): δ 8.96 (dd, J=4.3,2.7Hz, 1H), 8.15 (m, 2H), 7.81 (d, J=9.5Hz, 1H), 7.42 (dd, J=8.3,4.3Hz, 1H).

[References]

[1] Patent: CN105968115, 2016, A. Location in patent: Paragraph 0560-0562
[2] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 18, p. 4281 - 4290
[3] Patent: US2007/265272, 2007, A1. Location in patent: Page/Page column 31-32
[4] Patent: WO2013/144737, 2013, A2. Location in patent: Paragraph 252
[5] Patent: US2015/57309, 2015, A1. Location in patent: Paragraph 0509
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromo-7-fluoroquinoline(127827-52-5)1HNMR
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