81020-65-7

Basic information

• Product Name: Benzeneacetonitrile, 4-chloro-a-(2-thienylmethylene)-, (Z)-
• CAS NO: 81020-65-7
• Molecular Formula: C13H8ClNS
• Molecular Weight: 245.732
• Mol File: 81020-65-7.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzeneacetonitrile, 4-chloro-a-(2-thienylmethylene)-, (Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetonitrile, 4-chloro-a-(2-thienylmethylene)-, (Z)-(81020-65-7)
• EPA Substance Registry System: Benzeneacetonitrile, 4-chloro-a-(2-thienylmethylene)-, (Z)-(81020-65-7)

Safety Data

• Hazardous Substances Data: 81020-65-7(Hazardous Substances Data)

Upstream product

• 6258-63-5 (2-thienyl)methanethiol 
• 140-53-4 p-chlorobenzyl cyanide 
• 98-03-3 thiophene-2-carbaldehyde 

Downstream Products

• 72035-54-2 2-(4-chlorophenyl)-3-(2-thienyl)propionitrile 

Relevant articles and documents

Direct C–S Bond Functionalization of Benzyl Mercaptan

Cleavage of a C–S bond of benzyl mercaptan led to formation of a new C–C bond during (Z)-selective alkenylation of nitriles using 1,10-phenanthroline as organocatalyst and tBuOK as a base. Furthermore, we have shown that the cascaded functionalization of benzylic C–S and aryl–halide bonds could be done in one pot. 1H NMR study and kinetic experiments also helped to establish the mechanism of the reaction.

Kinetic Study of the Base-catalysed Reactions of Benzaldahehyde and Thiophene-2-carbaldehyde with Acetonitriles

The reaction rates of the sodium methoxide-catalysed condensation of benzaldehyde and thiophene-2-carbaldehyde with heteroaromatic acetonitriles ArCH2CN; Ar = C6H5, C6H4CH3(p), C6H4-OCH3(p), C6H4F(p), C6H4Cl(p), C6H4Br(p), 2-thienyl, 3-thienyl, 3-pyridyl