| Identification | Back Directory | [Name]
2-bromo-3-methylacetophenone | [CAS]
51012-64-7 | [Synonyms]
2-Bromo-1-(m-tolyl)
Zolpidem Impurity 37
Zolpidem Acid Impurity 6
2-bromo-3-methylacetophenone
2-Bromo-1-(m-tolyl)ethan-1-one
2-bromo-1-(3-methylphenyl)ethanone
2-broMo-1-(3-Methylphenyl)ethan-1-one
Ethanone, 2-broMo-1-(3-Methylphenyl)- | [Molecular Formula]
C9H9BrO | [MDL Number]
MFCD07364269 | [MOL File]
51012-64-7.mol | [Molecular Weight]
213.07 |
| Chemical Properties | Back Directory | [Boiling point ]
120-122 °C(Press: 1.5 Torr) | [density ]
1.416±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [Appearance]
Colorless to light yellow ＜47℃ Solid,＞48℃ Liquid | [InChI]
InChI=1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3 | [InChIKey]
BANFRNTVKCHZDE-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=CC(C)=C1)CBr |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-bromo-1-(3-methylphenyl)ethyl-1-one from 1-(bromoethynyl)-3-methylbenzene: A mixed solution of 1-(bromoethynyl)-3-methylbenzene (0.5 mmol), AgF (5 mol%), and water (1 eq.) in TFA (1 mL) was stirred and reacted for 6 hours at 40 °C. Upon completion of the reaction, the TFA was recovered by distillation for reuse. The reaction mixture was purified by column chromatography to afford the target product 2-bromo-1-(3-methylphenyl)ethyl-1-one. | [References]
[1] European Journal of Organic Chemistry, 2016, vol. 2016, # 1, p. 116 - 121
[2] Tetrahedron Letters, 2014, vol. 55, # 7, p. 1373 - 1375
[3] Journal of Organic Chemistry, 2013, vol. 78, # 18, p. 9190 - 9195
[4] Tetrahedron Letters, 2016, vol. 57, # 45, p. 4983 - 4986
[5] Tetrahedron, 2016, vol. 72, # 27-28, p. 3818 - 3822 |
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