New insights into the mechanism of synergetic photoredox/copper(<scp>i</scp>)-catalyzed carbocyanation of 1,3-dienes: a DFT study-Reference-Cited by-同舟云学术

New insights into the mechanism of synergetic photoredox/copper(i)-catalyzed carbocyanation of 1,3-dienes: a DFT study

Published:2023 Issue:17 Volume:14 Page:4580-4588
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Liu Yanhong¹²^ORCID,Feng Aili¹^ORCID,Zhu Rongxiu¹^ORCID,Zhang Dongju¹^ORCID

Affiliation:

1. Key Lab of Colloid and Interface Chemistry, Ministry of Education, Institute of Theoretical Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, P. R. China

2. School of Radiology, Shandong First Medical University & Shandong Academy of Medical Sciences, Taian 271016, P. R. China

Abstract

DFT calculations shows an unexpected mechanism in the photoredox/copper-catalyzed carbocyanation of 1,3-diene, which involves CuI-only catalysis and the single electron transfer from the allyl radical to the oxidized photocatalyst.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC00002H

Reference63 articles.

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2. Catalytic Enantio- and Regioselective Addition of Nucleophiles in the Intermolecular Hydrofunctionalization of 1,3-Dienes

3. Nickel-Catalyzed Carboalkenylation of 1,3-Dienes with Aldehydes and Alkenylzirconium Reagents: Access to Skipped Dienes