Parametrization of κ 2 - N , O -Oxazoline Preligands for Enantioselective Cobaltaelectro-Catalyzed C–H Activations

High Resolution Image Download MS PowerPoint Slide Enantioselective electrocatalyzed C–H activations have emerged as a transformative platform for the assembly of value-added chiral organic molecules. Despite the recent progress, the construction of multiple C(sp 3 )-stereogenic centers via a C(sp 3 )–C(sp 3 ) bond formation has thus far proven to be elusive. In contrast, we herein report an annulative C–H activation strategy, generating chiral Fsp 3 -rich molecules with high levels of diastereo- and enantioselectivity. κ 2 - N, O -oxazoline preligands were effectively employed in enantioselective cobalt(III)-catalyzed C–H activation reactions. Using DFT-derived descriptors and regression statistical modeling, we performed a parametrization study on the modularity of chiral κ 2 - N, O -oxazoline preligands. The study resulted in a model describing ligands’ selectivity characterized by key steric, electronic, and interaction behaviors.