ChemicalBook--->CAS DataBase List--->51012-65-8

51012-65-8

51012-65-8 Structure

51012-65-8 Structure
IdentificationBack Directory
[Name]

2'-METHYLPHENACYL BROMIDE
[CAS]

51012-65-8
[Synonyms]

AKOS BBS-00004007
Zolpidem Impurity 21
2-(Bromoacetyl)toluene
2-METHYLPHENACYL BROMIDE
2'-METHYLPHENACYL BROMIDE
2-Methyl phenycyl Bromide
2-Bromo-1-o-tolyl-ethanone
2-bromo-2-methylacetophenone
Zolpidem tartrate Impurity 15
2-Bromo-1-(o-tolyl)ethan-1-one
2-Bromo-2'-methylacetophenone >
2-Bromo-2'-methylacetophenone,98%
2-bromo-1-(2-methylphenyl)ethanone
Ethanone, 2-bromo-1-(2-methylphenyl)-
2-Bromo-2'-methylacetophenone, 2-Bromo-1-(2-methylphenyl)ethan-1-one, 2-Bromo-1-(o-tolyl)ethan-1-one
[Molecular Formula]

C9H9BrO
[MDL Number]

MFCD04038955
[MOL File]

51012-65-8.mol
[Molecular Weight]

213.07
Chemical PropertiesBack Directory
[Boiling point ]

82
[density ]

1.416±0.06 g/cm3(Predicted)
[refractive index ]

1.5790 to 1.5830
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

clear liquid
[color ]

Light yellow to Yellow to Orange
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Lachrymatory
Safety DataBack Directory
[Hazard Codes ]

Xi
[RIDADR ]

UN 2810 6.1/PG III
[Hazard Note ]

Irritant/Lachrymator
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2914790090
Hazard InformationBack Directory
[Uses]

2-Bromo-2'-methylacetophenone is an aromatic building block for proteomics research.
[Synthesis]

o-Toluoyl chloride

933-88-0

(TRIMETHYLSILYL)DIAZOMETHANE

18107-18-1

2'-METHYLPHENACYL BROMIDE

51012-65-8

Example 6 Preparation of 2-bromo-1-o-tolylacetophenone (I15): 2-methylbenzoyl chloride (169 μL, 1.29 mmol) was dissolved in anhydrous acetonitrile (5 mL) under nitrogen protection and cooled to 0°C. Subsequently, (diazomethyl)-trimethylsilane (1.94 mL, 3.88 mmol, 2 M hexane solution) was slowly added. The reaction mixture was stirred at room temperature for 15 h. The reaction mixture was again cooled to 0 °C and 48% hydrobromic acid (512 μL, 4.53 mmol) was slowly added. The reaction mixture was continued to be stirred at room temperature for 3 hours. After completion of the reaction, the organic layer was separated by adding ethyl acetate (EtOAc) and water for extraction. The aqueous phase was neutralized with 1 M sodium hydroxide (NaOH) and extracted again with ethyl acetate. The organic layers were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford 2-bromo-1-o-toluene ethanone (250 mg, 91% yield). The intermediate could be used for subsequent reactions without further purification.1H NMR (300 MHz, DMSO-d6) δ ppm: 7.82-7.91 (m, 1H), 7.45-7.52 (m, 1H), 7.25-7.40 (m, 2H), 4.86 (s, 2H), 2.41 (s, 3H).

[References]

[1] Patent: US2011/311458, 2011, A1
[2] Patent: WO2011/161018, 2011, A1. Location in patent: Page/Page column 35
Spectrum DetailBack Directory
[Spectrum Detail]

2'-METHYLPHENACYL BROMIDE(51012-65-8)1HNMR
2'-METHYLPHENACYL BROMIDE(51012-65-8)FT-IR
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