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746630-34-2

746630-34-2 Structure

746630-34-2 Structure
IdentificationBack Directory
[Name]

1-(4-BroMo-2,6-difluoro-phenyl)-ethanone
[CAS]

746630-34-2
[Synonyms]

4'-bromo-2',6'-difluoroacetophenone
(2E)-3-(5-methyl-49-furyl)acrylic acid
4'-Bromo-2',6'-difluoroacetophenone 97%
1-(4-BroMo-2,6-difluoro-phenyl)-ethanone
Ethanone, 1-(4-bromo-2,6-difluorophenyl)-
[Molecular Formula]

C8H5BrF2O
[MDL Number]

MFCD22570410
[MOL File]

746630-34-2.mol
[Molecular Weight]

235.03
Chemical PropertiesBack Directory
[Boiling point ]

246.1±40.0 °C(Predicted)
[density ]

1.614±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[color ]

Clear, almost colourless to faint lemon
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 ]

2914790090
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-BroMo-2,6-difluoro-phenyl)-ethanone(746630-34-2)1HNMR
1-(4-BroMo-2,6-difluoro-phenyl)-ethanone(746630-34-2)FT-IR
Hazard InformationBack Directory
[Synthesis]

(4-broMo-2,6-difluorophenyl)triMethylsilane

184910-20-1

Acetyl chloride

75-36-5

1-(4-BroMo-2,6-difluoro-phenyl)-ethanone

746630-34-2

1. Anhydrous aluminum trichloride (AlCl3, 16.89 g, 126.7 mmol) was dissolved in dichloromethane (DCM, 130 mL) and acetyl chloride (AcCl, 9 mL, 126.7 mmol) was added slowly at 0 °C. 2. The reaction mixture was stirred at 0 °C for 1 hour. 3. In another vessel, (4-bromo-2,6-difluorophenyl)trimethylsilane (27.48 g, 105.59 mmol) was dissolved in dichloromethane (DCM, 70 mL). 4. The solution from Step 3 was slowly added to the reaction mixture from Step 2 at -80 °C. 5. The reaction mixture was stirred at -80 °C for 16 hours. 6. Upon completion of the reaction, the reaction was quenched with aqueous ammonium chloride at 0 °C and extracted with ether (Et2O). 7. The organic layers were combined and dried with anhydrous magnesium sulfate. 8. The crude product was purified by column chromatography (eluent: ethyl acetate/hexane = 1/10) to afford 1-(4-bromo-2,6-difluorophenyl)ethanone (19.89 g, 74% yield). 9. The structure of the product was investigated by 1H-1H-1 , 1H-2,6-difluorophenylacetonitrile. 9. The structure of the product was confirmed by 1H-NMR (CDCl3, δ): 7.16 (2H, m), 2.58 (3H, s).

[References]

[1] Patent: EP3239143, 2017, A2. Location in patent: Paragraph 0140
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