One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes.

ABSTRACT: One-pot tandem dehydrogenative cross-coupling of primary and secondary alcohols was catalyzed by three ruthenium complexes [1-(R)-4-N-(furan-2-ylmethyl)acetamido-1,2,4-triazol-5-ylidene]Ru(p-cymene)Cl [R = Et (1b), i-Pr (2b), Bn (3b)], of amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene (NHC) ligands. Density Functional Theory (DFT) calculations were employed for the ruthenium (1b) precatalyst to understand this reaction mechanism completely, and the mechanisms adapted are divided categorically into three steps (i) nucleophilic substitution of chloride ions by alcohols, (ii) dehydrogenation of primary and secondary alcohols, and (iii) olefin and ketone hydrogenation. Our mechanistic study reveals that the formation of a deprotonated Ru-alcoholate (A)

SUBMITTER: Kumar A 

PROVIDER: S-EPMC9557752 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature