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 elusive. In contrast, we herein, report an annulative C−H activation strategy, generating chiral Fsp3-rich molecules with high levels of diastereo-and enantio-selectivity. We have employed novel κ2-N,O-oxazoline preligands for the first time in enantioselective cobalt(III)-catalyzed C−H activation reactions. Using DFT-derived descriptors and regression statistical modeling, we performed a parameterization 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.