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Mechanism of the Arene-Limited Nondirected C–H Activation of Arenes with Palladium

preprint
revised on 14.04.2021, 04:33 and posted on 15.04.2021, 08:43 by Philipp Wedi, Mirxan Farizyan, Klaus Bergander, Christian Mück-Lichtenfeld, Manuel van Gemmeren
Recently palladium catalysts have been discovered that enable the directing group-free C–H activation of arenes without requiring an excess of the arene substrate, thereby enabling methods for the late-stage modification of complex organic molecules. The key to success has been the use of two complementary ligands, an N-acyl amino acid and an N-heterocycle. Detailed experimental and computational mechanistic studies on the dual ligand-enabled C–H activation of arenes have led us to identify the catalytically active species and a transition state model that explains the exceptional activity and selectivity of these catalysts. These findings are expected to be highly useful for further method development using this powerful class of catalysts.

Funding

Otto Hahn Award - Max-Planck Society

Liebig Fellowship - Verband der Chemischen Industrie

WWU Münster

Emmy Noether Programme - DFG

History

Email Address of Submitting Author

mvangemmeren@uni-muenster.de

Institution

WWU Münster

Country

Germany

ORCID For Submitting Author

0000-0003-3080-3579

Declaration of Conflict of Interest

No conflict of interests

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