1321869-62-8

Basic information

• Product Name: (E)-2-(benzothiazol-2'-ylthio)-3-phenylacrylonitrile
• CAS NO: 1321869-62-8
• Molecular Weight: 294.401
• Mol File: 1321869-62-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-2-(benzothiazol-2'-ylthio)-3-phenylacrylonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-2-(benzothiazol-2'-ylthio)-3-phenylacrylonitrile(1321869-62-8)
• EPA Substance Registry System: (E)-2-(benzothiazol-2'-ylthio)-3-phenylacrylonitrile(1321869-62-8)

Safety Data

• Hazardous Substances Data: 1321869-62-8(Hazardous Substances Data)

Upstream product

• 149-30-4 2-Mercaptobenzothiazole 
• 24793-01-9 (1,3-benzothiazol-2-ylsulfanyl)acetonitrile 
• 100-52-7 benzaldehyde 

Relevant articles and documents

Synthesis and E/Z configuration determination of novel derivatives of 3-Aryl-2-(benzothiazol-2′-ylthio) acrylonitrile, 3-(benzothiazol-2′- ylthio)-4-(furan-2′ ′-yl)-3-buten-2-one and 2-(1-(Furan-2′ ′-yl)-3′-oxobut-1′ ′-en-2-ylthio)-3-phenylquinazolin- 4(3H)-one

Knoevenagel condensation of 2-(benzothiazol-2-ylthio) acetonitrile (2) with either furan-2-carbaldehyde or thiophene-2-carbaldehydes leads to E-isomers 4a-b exclusively, while the condensation of the compound 2 with benzaldehyde or parasubstituted benzaldehydes with an electron-donating group afforded E/Z mixtures 4c-e with preferentially formation of the E-isomer. Condensation of furan-2-carbaldehyde (3a) with either 1-(benzothiazol-2′-ylthio) propan-2-one (5) or 2-(2′-oxo propylthio)-3-phenylquinazolin- 4(3H)-one (9) leads exclusively to the Z-isomers of 6 and 10, respectively. The structures of the newly synthesized compounds were elucidated by elemental analyses, 1H-NMR and 13C-NMR spectra, COSY, HSQC, HMBC, NOE, MS and X-ray crystallographic investigations.