ZnCl2-catalysed transfer hydrogenation of carbonyls and chemoselective reduction of the CC bond in α,β-unsaturated ketones

Abstract

This manuscript describes chemoselective reduction of CC in α,β-unsaturated ketones and the transfer hydrogenation of aldehydes and ketones catalysed by ZnCl₂-phosphinamino-triazolyl-pyridine (0.5 mol%) using KOH/ⁱPrOH as a H₂ 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.