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ZnCl 2 -catalysed transfer hydrogenation of carbonyls and chemoselective reduction of the CC bond in α,β-unsaturated ketones.

Sonu SheokandSunita SharmaManali A MohiteGopalan RajaramanMaravanji S Balakrishna
Published in: Chemical communications (Cambridge, England) (2024)
This manuscript describes chemoselective reduction of CC in α,β-unsaturated ketones and the transfer hydrogenation of aldehydes and ketones catalysed by ZnCl 2 -phosphinamino-triazolyl-pyridine (0.5 mol%) using KOH/ i PrOH as a H 2 source. A detailed mechanistic study using DFT calculations (B3LYP-D3/def2-TZVP) revealed the key role of metal-ligand cooperation (MLC) in the catalytic reaction demonstrating the non-innocent behaviour of the phosphine ligand.
Keyphrases
  • density functional theory
  • electron transfer
  • molecular dynamics
  • crystal structure
  • molecular dynamics simulations
  • single cell