697751-83-0

Basic information

• Product Name: 1,3-dicyanoindene
• Synonyms: 1,3-dicyanoindene
• CAS NO: 697751-83-0
• Molecular Weight: 166.182
• Mol File: 697751-83-0.mol

Chemical Properties

• CAS DataBase Reference: 1,3-dicyanoindene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dicyanoindene(697751-83-0)
• EPA Substance Registry System: 1,3-dicyanoindene(697751-83-0)

Safety Data

• Hazardous Substances Data: 697751-83-0(Hazardous Substances Data)

Upstream product

• 126993-43-9 1,2-dithiophenyl-1,2-dicyanocyclopropane 

Relevant articles and documents

BEHAVIOUR OF CYCLOPROPANES BEARING CAPTO-DATIVE SUBSTITUTION UPON ELECTRON-IMPACT AND FLASH-VACUUM PYROLYSIS CONDITIONS

Tandem mass spectrometry has been applied to investigate the behaviour of bis-captodative(cd) substituted cyclopropanes upon electron impact (EI) and flash-vacuum pyrolysis (FVP) comditions.Ring-opening of the molecular ions of 1 followed by a 1,2-hydrogen shift preceedes the fragmentation consisting mainly in the competitive losses of CH3S. and CH2S.The least energy demanding reaction is however a methyl loss requiring also ring cleavage.The m/z 70 base peak is ascribed to cyanothioacylium ions(NC-C=S(1+)) as indicated by the characteristic fragmentations induced by collision.Upon FVP conditions 1 decays to the cd olefin 8 and the carbene 9 in competition with the extrusion of CH3S. and CH3. radicals at the highest temperatures.The behaviour of 2 upon both conditions is dominated by the chemistry of the t-butyl substituents.Ring cleavage of the molecular ions of 3 preceedes also the fragmentation and induces rearrangement reactions yielding unexpected cyclohexadiene thione ions and C7H7(1+) ions.Upon FVP, C-S bond homolysis readily occurs in competition with an elimination of a carbene molecule.