129340-06-3

Basic information

• Product Name: 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-(2-thienyl)-3-thioxo-
• CAS NO: 129340-06-3
• Molecular Formula: C14H12N2S2
• Molecular Weight: 272.395
• Mol File: 129340-06-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-(2-thienyl)-3-thioxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-(2-thienyl)-3-thioxo-(129340-06-3)
• EPA Substance Registry System: 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-(2-thienyl)-3-thioxo-(129340-06-3)

Safety Data

• Hazardous Substances Data: 129340-06-3(Hazardous Substances Data)

Upstream product

• 39145-35-2 2-cyano-3-thiophen-2-yl-thioacrylamide 
• 4354-73-8 2-(cyclohexylidene)malononitrile 
• 7357-70-2 Cyanothioacetamide 
• 108-94-1 cyclohexanone 
• 28162-32-5 2-(2-thienyl)-1-cyanoacrylonitrile 
• 129224-53-9 2-cyano-2-cyclohexylidenethioacetamide 

Downstream Products

• 444144-01-8 3-[2-(2,4-dichloro-phenyl)-2-oxo-ethylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile 

Relevant articles and documents

Cyclization of nitriles: LIX. Synthesis and properties of 1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione derivatives. Molecular and crystal structure of 3-isobutylsulfanyl-1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydroisoquinoline

By condensation of 2-(2-thenoyl)-1-cyclohexanone with cyanothioacetamide a new compound of a series of chalcogen-containing isoquinolines with a thiophene fragment in its structure was prepared. It was demonstrated that alkylation of the compound with haloalkanes and their derivatives, in particular with those having electron-withdrawing substituents furnished 3-alkylthio-4-cyano-5,6,7,8-tetrahydroisoquinolines. Some of the latter underwent cyclization into 3-amino-2-R-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]-isoquinoline.