ChemicalBook--->CAS DataBase List--->37074-40-1

37074-40-1

37074-40-1 Structure

37074-40-1 Structure
IdentificationBack Directory
[Name]

4'-Bromo-3'-methylacetophenone
[CAS]

37074-40-1
[Synonyms]

NSC 405623
Fluralaner-003
3-Methyl-4-bromoacetophenone
Ethanone, 1-(4-broMo-3-Methylphenyl)-
[Molecular Formula]

C9H9BrO
[MDL Number]

MFCD00045017
[MOL File]

37074-40-1.mol
[Molecular Weight]

213.07
Chemical PropertiesBack Directory
[Melting point ]

31-32 °C
[Boiling point ]

157-159 °C(Press: 19 Torr)
[density ]

1.388±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

fused solid
[color ]

Pale lemon
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P271-P260-P280
[HS Code ]

2914390090
Hazard InformationBack Directory
[Uses]

4'-Bromo-3'-methylacetophenone is a versatile building block that is used in the synthesis of many complex compounds. It can be used as a reactant, reagent, or speciality chemical.
[Synthesis]

A solution of 4-bromo-3-methylbenzaldehyde (4 g, 20 mmol) in dry tetrahydrofuran (40 mL) was cooled to 0°C under nitrogen atmosphere, and then methyl magnesium bromide (20 mL, 1N in tetrahydrofuran) was added dropwise. The ice bath was removed, and the mixture was stirred for 2 hours. Ammonium chloride aqueous (40 mL) was added and the mixture was extracted with dichloromethane (20 mL * 3). The organic phase was dried by sodium sulphate, filtered and concentrated to give a residue. The residue was purified by column chromatography (silica gel, petroleum ether/ethyl acetate = 5:1) to give 1-(4-bromo-3-methylphenyl)ethanol. Colorless oil, yield 4.0 g, 93%. Pyridinium chlorochromate (48 g, 223 mmol) was added to a solution of 1-(4-bromo-3-methylphenyl)ethanol (31.9 g, 148 mmol) in dichloromethane (800 mL). The mixture was stirred at room temperature for 2 hours. The mixture was concentrated to give a residue. The residue was purified by column chromatography (silica gel, petroleum ether/ethyl acetate = 25:1) to give 4'-Bromo-3'-methylacetophenone. Yield 27.3 g, 87%. Synthesis of 4'-Bromo-3'-methylacetophenone Figure Synthesis of 4'-Bromo-3'-methylacetophenone
[References]

[1] Patent: WO2015/1024, 2015, A1. Location in patent: Page/Page column 68-69
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Bromo-3'-methylacetophenone(37074-40-1)1HNMR
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