ChemicalBook--->CAS DataBase List--->872365-91-8

872365-91-8

872365-91-8 Structure

872365-91-8 Structure
IdentificationBack Directory
[Name]

2-Bromo-6-(difluoromethyl)pyridine
[CAS]

872365-91-8
[Synonyms]

2-Bromo-6-(difluoromethyl)pyridine
Pyridine, 2-bromo-6-(difluoromethyl)-
2-Bromo-6-(difluoromethyl)pyridine 95%
2-Bromo-6-(difluoromethyl)pyridine 95+%
6-Bromo-alpha,alpha-difluoro-2-picoline
[Molecular Formula]

C6H4BrF2N
[MDL Number]

MFCD16140194
[MOL File]

872365-91-8.mol
[Molecular Weight]

208.003
Chemical PropertiesBack Directory
[density ]

1.703
[refractive index ]

1.520
[Fp ]

110℃
[storage temp. ]

2-8°C
[form ]

liquid
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C6H4BrF2N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
[InChIKey]

ZTBGDNNRDRISQZ-UHFFFAOYSA-N
[SMILES]

C1(Br)=NC(C(F)F)=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

26-45
[RIDADR ]

UN 2810 6.1 / PGIII
[WGK Germany ]

3
[HazardClass ]

6.1
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-6-(difluoromethyl)pyridine(872365-91-8)1HNMR
2-Bromo-6-(difluoromethyl)pyridine(872365-91-8)FT-IR
Hazard InformationBack Directory
[Synthesis]

6-Bromopyridine-2-carbaldehyde

34160-40-2

2-Bromo-6-(difluoromethyl)pyridine

872365-91-8

Step 3. Preparation of 2-bromo-6-(difluoromethyl)pyridine To a solution of 6-bromopyridine-2-carbaldehyde (2.10 g, 11.29 mmol) in dichloromethane (20 mL) was slowly added diethylamino sulfur trifluoride (1.94 mL, 14.68 mmol) at 0 °C. The reaction mixture was gradually warmed to room temperature and stirred continuously for 18 hours. Upon completion of the reaction, the mixture was carefully poured into pre-cooled saturated sodium bicarbonate solution (300 mL). Extraction was carried out with ethyl acetate (2 x 120 mL) and the organic phases were combined. Subsequently, the organic phase was washed sequentially with saturated sodium bicarbonate solution (80 mL) and brine (2 x 50 mL), dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated under reduced pressure to afford 2-bromo-6-(difluoromethyl)pyridine as a brown oil (2.17 g, 89% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 7.75-7.70 (m, 1H), 7.65-7.60 (m, 2H), 6.60 (t, J = 55.1 Hz, 1H).

[References]

[1] Patent: WO2017/201468, 2017, A1. Location in patent: Page/Page column 236
[2] Patent: WO2017/80979, 2017, A1. Location in patent: Page/Page column 124; 125
[3] Patent: US2009/253750, 2009, A1. Location in patent: Page/Page column 9
[4] Patent: US2016/221998, 2016, A1. Location in patent: Paragraph 0396; 0397
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