4-Chlorobenzoylacetonitrile

Ref. 3D-FC20199

Product Information

• Name: 4-Chlorobenzoylacetonitrile
• Synonyms: 4-Chloro-b-oxo-benzenepropanenitrile3-(4-Chlorophenyl)-3-oxopropanenitrile3-Oxo-3-(4-chlorophenyl)propionitrile
• Brand: Biosynth
• Description: 4-Chlorobenzoylacetonitrile is an efficient method for the synthesis of aldehydes from formyl compounds. It has been used to synthesize a variety of organic compounds, including drugs, pharmaceuticals, and natural products. This reaction takes place in three steps: (1) addition of thiourea to the formyl compound; (2) conversion of the thiourea to a thiol derivative; and (3) treatment with molybdenum trioxide. The second step is stereoselective, so it can be used to produce either R or S-enantiomers. The final product is an aldehyde with a formyl group at the alpha position. In this reaction mechanism, hydrogen bonds are broken by cleaving a C-H bond adjacent to an active methylene group. The reaction is initiated by irradiation or heating due to the release of energy that is stored in these bonds.

Chemical properties

• Molecular weight: 179.6 g/mol
• Formula: C₉H₆ClNO
• Purity: Min. 95%
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#CCC(=O)c1ccc(Cl)cc1