DFT calculations reveal the origin of controllable synthesis of β-boronyl carbonyl compounds from Cu/Pd-cocatalyzed four-component borocarbonylation of vinylarenes-Reference-Cited by-同舟云学术

DFT calculations reveal the origin of controllable synthesis of β-boronyl carbonyl compounds from Cu/Pd-cocatalyzed four-component borocarbonylation of vinylarenes

Published:2023 Issue:7 Volume:13 Page:2123-2133
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Liu Lin¹^ORCID,Liu Yanhong¹,Yang Yiying¹,Liu Chengbu¹,Zhang Dongju¹

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

Abstract

DFT calculations show that the difference in reactivity caused by different raw materials (aryl halides/trifluoromethanesulfonate) is due to the different formation rates of intermediates in copper and palladium catalytic cycles.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shandong Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CY/D2CY01936A

Reference53 articles.

1. Diboron(4) Compounds: From Structural Curiosity to Synthetic Workhorse

2. Boronic acid compounds as potential pharmaceutical agents

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5. Large-Scale Applications of Transition Metal-Catalyzed Couplings for the Synthesis of Pharmaceuticals

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