Experimental and theoretical studies on rhodium-catalyzed direct CH benzoxylation reaction

Abstract An efficient Rh(III)-catalyzed, chelation assisted C H benzoxylation reaction has been developed, releasing H 2 O as the single byproduct. The reaction proceeded under mild conditions, with controllable mono- and dioxygenation selectivity, thus providing a good complement to previous C H oxygenation reactions. DFT calculations support that a nucleophilic addition pathway is most likely involved in the current reaction system.