Pyridine, 5-bromo-2-(difluoromethyl)-

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Pyridine, 5-bromo-2-(difluoromethyl)- manufacturers

Pyridine, 5-bromo-2-(difluoromethyl)- Basic information
Product Name:Pyridine, 5-bromo-2-(difluoromethyl)-
Synonyms:5-Bromo-alpha,alpha-difluoro-2-picoline;3-Bromo-6-(difluoromethyl)pyridine;5-Bromo-2-(difluoromethyl)pyridine 95%;Pyridine, 5-bromo-2-(difluoromethyl)-
CAS:845827-13-6
MF:C6H4BrF2N
MW:208
EINECS:200-258-5
Product Categories:
Mol File:845827-13-6.mol
Pyridine, 5-bromo-2-(difluoromethyl)- Structure
Pyridine, 5-bromo-2-(difluoromethyl)- Chemical Properties
Melting point 35-40℃
Boiling point 206.6±35.0 °C(Predicted)
density 1.64
Fp 89°(192°F)
storage temp. 2-8°C
pka-0.83±0.29(Predicted)
form Solid
color White to yellow
InChIInChI=1S/C6H4BrF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H
InChIKeyQXLZRIGSWWQOLG-UHFFFAOYSA-N
SMILESC1(C(F)F)=NC=C(Br)C=C1
CAS DataBase Reference845827-13-6
Safety Information
Hazard Codes T
Risk Statements 25-36/37/38
Safety Statements 26-45
RIDADR 2811
WGK Germany 3
HazardClass 6.1
PackingGroup Ⅲ
HS Code 2933399990
Storage Class6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard ClassificationsAcute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
Pyridine, 5-bromo-2-(difluoromethyl)- Usage And Synthesis
Synthesis
5-Bromopyridine-2-carbaldehyde

31181-90-5

PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-

845827-13-6

General procedure for the synthesis of 5-bromo-2-difluoromethylpyridine from 5-bromo-2-pyridinecarboxaldehyde: To a cooled solution of 5-bromopyridine-2-carboxaldehyde (A) (7.0 g, 38 mmol) in dichloromethane (300 mL) was slowly added diethylaminosulfur trifluoride (DAST, 10.8 mL, 83 mmol) at -78 °C. The reaction mixture was gradually warmed to room temperature over a period of 6 h. The reaction was subsequently quenched by the slow addition of water. The reaction mixture was washed with saturated aqueous sodium bicarbonate solution and dried with anhydrous sodium sulfate. Concentration and purification by silica gel column chromatography (dichloromethane as eluent) afforded 5-bromo-2-difluoromethylpyridine (B) as brown crystals (5.3 g, 67% yield).1H NMR (300 MHz, CDCl3) δ 8.8 (s, 1H), 8.0 (d, 1H), 7.6 (d, 1H), 6.6 (t, 1H).

References[1] Patent: US2012/302608, 2012, A1. Location in patent: Page/Page column 11
[2] Patent: WO2006/109729, 2006, A1. Location in patent: Page/Page column 168-169
[3] Patent: US2009/23782, 2009, A1. Location in patent: Page/Page column 13
[4] Patent: US2010/168178, 2010, A1. Location in patent: Page/Page column 11
[5] Patent: US2010/168177, 2010, A1. Location in patent: Page/Page column 11
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