DFT Studies of Pd-Catalyzed C-H Functionalization Processes

DFT Studies of Pd-Catalyzed C-H Functionalization Processes
Eric Clot
Institut Charles Gerhardt
CNRS – Montpellier University
eric.clot@umontpellier.fr

The catalytic activation and functionalization of unactivated C(sp3)–H bonds of alkyl groups has undergone intense development in recent years. In particular, a variety of directing groups as well as native functional groups have been employed in combination with palladium(II) catalysis in order to perform a variety of intermolecular, and to some extent intramolecular reactions.[1] Since 2007, in collaboration with the group of Olivier Baudoin, mechanistic studies enabled a better understanding of the C–H activation step, and a better rationalization of the observed selectivity patterns.[2] Recent efforts have been devoted to the development of enantioselective reactions.[3]

[1] Baudoin Acc. Chem. Res. 2017, 50, 1114.
[2] a) Chaumontet et al. J. Am. Chem. Soc. 2008, 130, 15157 ; b) Rousseaux et al. J. Am. Chem. Soc. 2010, 132, 10706; c) Kefalidis et al. J. Org. Chem. 2014, 79, 11903
[3] Holstein et al. ACS Catalysis 2015, 5, 4300.