Roger Monreal-Corona

Dec 6, 2024 | pubs.rsc.org | Roger Monreal-Corona |Nicolas Joly |Sylvain Gaillard |Jean-Luc Renaud

Mechanism and Optimization of Ruthenium-Catalyzed Oxalamide Synthesis Using DFT The oxalamide skeleton is a common structural motif in many biologically active molecules. These scaffolds can be synthesized via ruthenium pincer complex-catalyzed acceptorless dehydrogenative coupling of ethylene glycol and amines. In this study, we elucidate the mechanism of this oxalamide synthesis using Density Functional Theory calculations.