aKazan State Medical University, Kazan, Russian Federation bFSUE 'Antidope Centre', Moscow, Russian Federation cDivision of Informational Technologies, Kazan Scientific Centre of the Russian Academy of Sciences, Kazan, Russian Federation
Abstract:
By the reactions of 3-methylcyclopropene-3-carbonitrile with methylenecyclohexane, α-methylstyrene and β-pinene products of their cyclopropanation have been obtained, the formation of the latter proceeding by the Alder-ene addition scheme. A DFT study of the reaction mechanism shows that most favourable are exo transition states with syn configuration of the CN group and the ene moiety.