3'-Bromo-4'-methylacetophenone

CAS: 40180-80-1

Ref. TR-B688280

Product Information

• Name: 3'-Bromo-4'-methylacetophenone
• Synonyms: 1-(3-Bromo-4-methylphenyl)ethanone, Ethanone, 1-(3-Bromo-4-Methylphenyl)-

Description

Applications 3'-Bromo-4'-methylacetophenone is used as a starting material in the synthesis of mansonone E which is used to make mansonone E dervivatives. These derivatives are potent inhibitors of topoisomerase II (Topo II) and topoisomerase I (Topo I) and are also potent antitumor agents. 3'-Bromo-4'-methylacetophenone is also used as a reagent in the synthesis of BAF312, Siponimod which has been tested in the treatment of patients suffering from relapsing-remitting multiple sclerosis.
References Fang, X., et al.: J. Chem. Res., 38, 137 (2014); Huang, Z., et al.: Eur. J. Med. Chem., 68, 58 (2013); Pan, S., et al.: ACS Med. Chem. Lett., 4, 333 (2013)

• Brand: TRC

Chemical properties

• Molecular weight: 213.07
• Formula: C₉H₉BrO
• Color/Form: Neat
• InChI: InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
• InChI key: InChIKey=PDJLFESXPVLVMR-UHFFFAOYSA-N
• SMILES: CC(=O)c1ccc(C)c(Br)c1