ChemicalBook--->CAS DataBase List--->832735-56-5

832735-56-5

832735-56-5 Structure

832735-56-5 Structure
IdentificationBack Directory
[Name]

4-broMo-2-(difluoroMethoxy)pyridine
[CAS]

832735-56-5
[Synonyms]

4-broMo-2-(difluoroMethoxy)pyridine
Pyridine,4-bromo-2-(difluoromethoxy)-
[Molecular Formula]

C6H4BrF2NO
[MDL Number]

MFCD14584703
[MOL File]

832735-56-5.mol
[Molecular Weight]

224.003
Chemical PropertiesBack Directory
[Boiling point ]

198.6±35.0 °C(Predicted)
[density ]

1.670±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

0?+-.0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C6H4BrF2NO/c7-4-1-2-10-5(3-4)11-6(8)9/h1-3,6H
[InChIKey]

QKZHLBZNEBCOLM-UHFFFAOYSA-N
[SMILES]

C1(OC(F)F)=NC=CC(Br)=C1
[CAS DataBase Reference]

832735-56-5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

4-broMo-2-(difluoroMethoxy)pyridine(832735-56-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-BROMOPYRIDIN-2-OL

36953-37-4

Sodium chlorodifluoroacetate

1895-39-2

4-broMo-2-(difluoroMethoxy)pyridine

832735-56-5

General procedure for the synthesis of 4-bromo-2-difluoromethoxypyridine from 4-bromo-2-hydroxypyridine and sodium 2-chloro-2,2-difluoroacetate: Example 26i: 4-Bromo-2-hydroxypyridine (200 mg, 1.15 mmol) and sodium 2-chloro-2,2-difluoroacetate (210 mg, 1.38 mmol) were suspended in dry acetonitrile (8 mL). The reaction mixture was heated to reflux overnight and subsequently cooled to room temperature. The reaction mixture was extracted directly with pentane (3 × 5 mL). The organic phases were combined and concentrated to afford 219 mg (85% yield) of 4-bromo-2-difluoromethoxypyridine. Product characterization data were as follows: 1H-NMR (500 MHz, DMSO-d6) δ 8.18 (d, 1H), 7.70 (t, 1H), 7.56 (d, 1H), 7.50 (s, 1H); mass spectra (CI+) m/z 226, 224 [M + 1]+.

[References]

[1] Patent: US2010/125087, 2010, A1. Location in patent: Page/Page column 21
[2] Patent: WO2018/2760, 2018, A1. Location in patent: Page/Page column 100
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