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ChemicalBook--->CAS DataBase List--->90326-54-8

90326-54-8

90326-54-8 Structure

90326-54-8 Structure
IdentificationBack Directory
[Name]

1-(5-bromo-2-methylphenyl)ethanone
[CAS]

90326-54-8
[Synonyms]

1-(5-bromo-2-methylphenyl)ethanone
Ethanone, 1-(5-bromo-2-methylphenyl)-
1-(5-bromo-2-methylphenyl)ethan-1-one
[Molecular Formula]

C9H9BrO
[MDL Number]

MFCD22493313
[MOL File]

90326-54-8.mol
[Molecular Weight]

213.07
Chemical PropertiesBack Directory
[Boiling point ]

128-132 °C(Press: 17 Torr)
[density ]

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

Sealed in dry,Room Temperature
[Appearance]

Colorless to light yellow Liquid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

1-(5-bromo-2-methylphenyl)ethanone(90326-54-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Bromo-2-methylbenzonitrile

156001-51-3

Iodomethane

74-88-4

1-(5-bromo-2-methylphenyl)ethanone

90326-54-8

To a suspension of magnesium (1.44 g) in anhydrous ether (50 mL) was slowly added a solution of iodomethane (8.4 g) in anhydrous ether (10 mL) and the reaction mixture was stirred for 2 hours at room temperature. Subsequently, 5-bromo-2-methylbenzonitrile (4 g) was added and the reaction mixture was refluxed for 4 hours. Upon completion of the reaction, the reaction was quenched with saturated aqueous ammonium chloride solution at 0 °C. Extraction was carried out by adding ethyl acetate (EtOAc). After separation of the organic phase, it was dried with anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent. The residue was dissolved in a mixture of ice and concentrated sulfuric acid and stirred at room temperature for 68 hours. After completion of the reaction, the organic phase was separated by extraction with ethyl acetate. The organic layer was washed with water, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography (cyclohexane/ethyl acetate, 9:1) to afford the target product 1-(5-bromo-2-methylphenyl)ethanone in 74% yield.LC-MS (Method 1): retention time (Rt) = 3.52 min.

[References]

[1] Patent: US2014/194443, 2014, A1. Location in patent: Paragraph 0391-0393
[2] Patent: WO2014/108337, 2014, A1. Location in patent: Page/Page column 52
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