Parametrization of κ2-N,O-Oxazoline Preligands for Enantioselective Cobaltaelectro-Catalyzed C–H Activations

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(sp³)-stereogenic centers via a C(sp³)–C(sp³) bond formation has thus far proven to be elusive. In contrast, we herein report an annulative C–H activation strategy, generating chiral Fsp³-rich molecules with high levels of diastereo- and enantioselectivity. κ²-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 κ²-N,O-oxazoline preligands. The study resulted in a model describing ligands’ selectivity characterized by key steric, electronic, and interaction behaviors.