Sheokand Sonu, Sharma Sunita, Mohite Manali A, Rajaraman Gopalan, Balakrishna Maravanji S
Phosphorus Laboratory, Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
Chem Commun (Camb). 2024 Jul 23;60(60):7733-7736. doi: 10.1039/d4cc02700k.
This manuscript describes chemoselective reduction of CC in α,β-unsaturated ketones and the transfer hydrogenation of aldehydes and ketones catalysed by ZnCl-phosphinamino-triazolyl-pyridine (0.5 mol%) using KOH/PrOH as a H 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.
本手稿描述了在α,β-不饱和酮中碳-碳双键的化学选择性还原以及使用KOH/PrOH作为氢源,由ZnCl-膦氨基-三唑基吡啶(0.5 mol%)催化的醛和酮的转移氢化反应。使用密度泛函理论计算(B3LYP-D3/def2-TZVP)进行的详细机理研究揭示了金属-配体协同作用(MLC)在催化反应中的关键作用,证明了膦配体的非惰性行为。