Study of reaction of 5-aryl-2,3-dihydro-2,3-furandiones with n-cyanotriphenylphosphinimine. Molecular and crystal structure of the solvate of 6-p-tolyl-2-triphenylphosphinimino-4H-1,3-oxazin-4-one with acetonitrile

We have used X-ray diffraction to establish the structure of 6-p-tolyl-2-triphenylphosphinimino-4H-1,3-oxazin-4-one. We have modeled its formation from 5-p-toluoylketene and N-cyanotriphenylphosphinimine using the semiempirical SCF MO LCAO method in the MNDO-PM3 approximation. We show that the reaction occurs according to a concerted mechanism.