1204614-42-5

Basic information

• Product Name: (p-methoxyphenyl)iminoacetonitrile
• Synonyms: (p-methoxyphenyl)iminoacetonitrile
• CAS NO: 1204614-42-5
• Molecular Weight: 160.175
• Mol File: 1204614-42-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (p-methoxyphenyl)iminoacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (p-methoxyphenyl)iminoacetonitrile(1204614-42-5)
• EPA Substance Registry System: (p-methoxyphenyl)iminoacetonitrile(1204614-42-5)

Safety Data

• Hazardous Substances Data: 1204614-42-5(Hazardous Substances Data)

Upstream product

• 1204614-51-6 [allyl-(4-methoxyphenyl)amino]-acetonitrile 
• 24889-95-0 2-((4-methoxyphenyl)amino)acetonitrile 
• 124870-74-2 4-cyano-3,3-dimethyl-1-(p-methoxyphenyl)azetidin-2-one 

Relevant articles and documents

Synthesis of aryliminoacetonitriles under FVT conditions or by dehydrogenation of arylaminoacetonitriles: an NMR and UV-photoelectron spectroscopy study

The synthesis of [(E)-arylimino]-acetonitriles 3 has been described. It was found that the title compounds can be obtained on the three ways, namely by: (i) dehydrogenation of arylaminoacetonitriles 1, (ii) thermal fragmentation of 1-aryl-4-cyano-β-lactams 4 and (iii) retro-ene reaction of (allyl-p-methoxyphenyl-amino)-acetonitrile (7a) under FVT conditions. 1H and 13C NMR spectra of compounds 3, 5 and 6, and all their precursors 1 and 4, were recorded and analysed in detail using chemical shifts δH and δC [from GIAO DFT B3LYP/6-31(d) calculations] and J-couplings predicted at the DFT B3LYP/IGLO-II level. Also, UV-photoelectron spectra of 4a,d and 3a,d were measured and analysed considering the theoretical evaluation of their ionisation potentials.