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Dehydrogenative ester synthesis from enol ethers and water with a ruthenium complex catalyzing two reactions in synergy.

Sayan KarJie LuoMichael RauchYael Diskin-PosnerYehoshoa Ben-DavidDavid Milstein
Published in: Green chemistry : an international journal and green chemistry resource : GC (2022)
We report the dehydrogenative synthesis of esters from enol ethers using water as the formal oxidant, catalyzed by a newly developed ruthenium acridine-based PNP(Ph)-type complex. Mechanistic experiments and density functional theory (DFT) studies suggest that an inner-sphere stepwise coupled reaction pathway is operational instead of a more intuitive outer-sphere tandem hydration-dehydrogenation pathway.
Keyphrases
  • density functional theory
  • molecular dynamics
  • room temperature
  • molecular docking