Theoretical studies of the asymmetric alkylation reaction on chiral enamines

Semi-empirical calculations on the asymmetric alkylation of β-ketoesters described by Koga and co-workers were carried out with the use of the MNDO semi-empirical method. This reaction is dependent on the kind of solvent used as additive for the generation of the asymmetric center with chirality control. Investigations were carried out to test how different types of additives, such as HMPA and THF, affect the establishment of this stereogenic center.