Theoretical study of the reactivity of (CH3)2AlCH2I promoted cyclopropanation reactions

Abstract Density functional theory calculations are reported for the cyclopropanation reactions of (CH 3 ) 2 AlCH 2 I with ethylene for two reaction channels: methylene transfer and carbometalation. These computational results suggest that the methylene transfer process is favored and the competition from the carbometalation pathway is negligible.