tert-Butyl 4-(chloromethyl)benzoate

CAS: 121579-86-0

Ref. 3D-FB140512

Product Information

• Name: tert-Butyl 4-(chloromethyl)benzoate
• Synonyms: Benzoic Acid, 4-(Chloromethyl)-, 1,1-Dimethylethyl Ester

Description

tert-Butyl 4-(chloromethyl)benzoate (tBMB) is a benzoic acid derivative that belongs to the group of antitumor drugs. It has been shown to have a potent cytotoxic effect on cultured human tumor cells and to be effective against tumor cells in animals. tBMB is also used as an intermediate in the synthesis of other compounds, such as potassium benzoate and magnesium benzoate. Industrial processes for tBMB production include chlorination, which generates environmental pollutants such as chlorinated hydrocarbons. The drug is also known to cause skin irritation and contact dermatitis in humans.

• Brand: Biosynth

Chemical properties

• Molecular weight: 226.7 g/mol
• Formula: C₁₂H₁₅ClO₂
• Purity: Min. 95%
• InChI: InChI=1S/C12H15ClO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
• InChI key: InChIKey=UDAULNDFFKITRZ-UHFFFAOYSA-N
• SMILES: CC(C)(C)OC(=O)c1ccc(CCl)cc1