Benzoylacetonitrile

CAS: 614-16-4

Ref. 3D-FB18245

Product Information

• Name: Benzoylacetonitrile
• Synonyms: b-Oxohydrocinnamonitrile3-Oxo-3-phenylpropanenitrilePhenacyl cyanide, 2-Cyanoacetophenone, 3-Oxo-3-Phenylpropanenitrile, 3-Oxo-3-phenylpropionitrile, 3-Phenyl-3-ketopropionitrile, 3-Phenyl-3-oxopropanenitrile, Acetonitrile, benzoyl-, Benzenepropanenitrile, β-oxo-, Benzoylcyanomethane, Cyanomethyl phenyl ketone, NSC 4713, Phenacyl cyanide, α-Cyanoacetophenone, β-Oxobenzenepropanenitrile, β-Oxobenzenepropionitrile, ω-Cyanoacetophenone

Description

Benzoylacetonitrile is a potent and selective inhibitor of the enzyme aromatase, which converts androstenedione to estrone and testosterone to estradiol. It has been shown to inhibit the growth of breast cancer cell lines in vitro. Benzoylacetonitrile also has anti-inflammatory activity, as it was found to inhibit HIV infection in cell culture models. The reaction mechanism has been elucidated by NMR spectroscopic data. This drug can be synthesized by reacting benzoyl chloride with acetonitrile in the presence of sodium carbonate, yielding a hydrochloride salt as an intermediate product. The final product can be obtained by hydrolysis of this intermediate ester with hydrochloric acid.

• Brand: Biosynth

Chemical properties

• Molecular weight: 145.16 g/mol
• Formula: C₉H₇NO
• Purity: Min. 95%
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#CCC(=O)c1ccccc1