3'-bromo-2'-methylacetophenone Chemical Properties

Boiling point:

272.7±28.0 °C(Predicted)

Density 

1.388±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

InChI

InChI=1S/C9H9BrO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-5H,1-2H3

InChIKey

LBNWYNIGDUWAOQ-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC=CC(Br)=C1C)C

3'-bromo-2'-methylacetophenone Usage And Synthesis

Synthesis

To a stirred and refluxing Grignard-complex, previously prepared starting from 7.3 parts of magnesium, 52.6 parts of methyl iodide in 160 parts of ether, is added dropwise a solution of 19.6 parts of  3'-bromo-2'-methylbenzonitrile in 40 parts of ether. Upon completion, stirring at reflux is continued for 20 hours. The reaction mixture is cooled to 0 C and poured onto 500 parts of ice water while stirring vigorously. The ethereal phase is separated, dried and evaporated. The residue is boiled in 60 parts of a 6N hydrochloric acid solution for 10 minutes. The separated oil is extracted with ether. The extract is washed with water, dried and evaporated. The residue is distilled, yielding 3'-bromo-2'-methylacetophenone.