Theoretical Research on Selective C–H Activation of 8-methylquinoline with Transition Metal Catalysts

Abstract

C–H activation using transition metal catalysts is one of the hot topics in organic chemistry because of their high catalytic reactivities. In this study, we aim to theoretically reveal the mechanism of deuteration of 8-methylquinoline, which shows regioselectivity depending on metal species and ligands used in the catalysts. This report shows the results of analysis in the step of oxidative addition from a viewpoint of relativistic effects.