4-Chlorobenzoylacetonitrile

CAS: 4640-66-8

Ref. 3D-FC20199

Informação sobre produto

• Nome: 4-Chlorobenzoylacetonitrile
• Sinónimos: 4-Chloro-b-oxo-benzenepropanenitrile3-(4-Chlorophenyl)-3-oxopropanenitrile3-Oxo-3-(4-chlorophenyl)propionitrile, 3-(4-Chlorophenyl)-3-oxopropanenitrile, 3-(4-Chloro-phenyl)-3-oxo-propionitrile, 3-(4-Chlorphenyl)-3-oxopropanonitril, Benzenepropanenitrile, 4-chloro-beta-oxo-, 4-Chlorophenyl cyanomethyl ketone, 4-Chlorophenacylcyanide

Descrição

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.

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 179.6 g/mol
• Fórmula: C₉H₆ClNO
• Pureza: Min. 95%
• InChI: InChI=1S/H3N/h1H3
• Chave InChI: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#CCC(=O)c1ccc(Cl)cc1