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A Copper(I)-Catalyzed Sulfonylative Hiyama Cross-Coupling.

Aurélien AdenotLucile Anthore-DalionEmmanuel NicolasJean-Claude BerthetPierre ThuéryThibault Cantat
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
An air-tolerant Cu-catalyzed sulfonylative Hiyama cross-coupling reaction enabling the formation of diaryl sulfones is described. Starting from aryl silanes, DABSO and aryliodides, the reaction tolerates a large variety of polar functional groups (amines, ketones, esters, aldehydes). Control experiments coupled with DFT calculations shed light on the mechanism, characterized by the formation of a Cu(I)-sulfinate intermediate via fast insertion of a SO2 molecule.
Keyphrases
  • density functional theory
  • room temperature
  • molecular dynamics
  • aqueous solution
  • molecular dynamics simulations
  • metal organic framework
  • molecular docking