Mechanism of Palladium/Amine Cocatalyzed Carbocyclization of Aldehydes with Alkynes and Its Merging with Pd Oxidase Catalysis
2014 (English)In: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 4, no 12, 4474-4484 p.Article in journal (Refereed) Published
The reaction mechanism for the palladium and amine cocatalyzed carbocyclization of aldehydes with alkynes has been investigated by means of density functional theory calculations and experiments. The Pd/amine cocatalyzed transformation is a carbocyclization of in situ generated enaminynes where the C-C bond-forming step is most likely promoted by a Pd(II) species. Notably, the latent Pd(O)/Pd(Ip catalytic redox cycle of this metal/organo cooperative catalytic reaction can be merged with catalytic direct aerobic alcohol oxidation (Pd oxidase catalysis).
Place, publisher, year, edition, pages
2014. Vol. 4, no 12, 4474-4484 p.
carbocyclization, multicatalysis, oxygen, oxidations, relay catalysis, density functional theory
IdentifiersURN: urn:nbn:se:su:diva-113125DOI: 10.1021/cs500905rISI: 000346041600030OAI: oai:DiVA.org:su-113125DiVA: diva2:790727
FunderSwedish Research CouncilThe Wenner-Gren FoundationVINNOVAKnut and Alice Wallenberg Foundation