DFT study of Ni/NHC-catalyzed C–H alkylation of fluoroarenes with alkenes to synthesize fluorotetralins: mechanism, chemoselectivity of C–H vs. C–F bond activation, and regio- and enantioselectivities of C–H bond activation-Reference-Cited by-同舟云学术

DFT study of Ni/NHC-catalyzed C–H alkylation of fluoroarenes with alkenes to synthesize fluorotetralins: mechanism, chemoselectivity of C–H vs. C–F bond activation, and regio- and enantioselectivities of C–H bond activation

Published:2021 Issue:7 Volume:8 Page:1520-1530
ISSN:2052-4129
Container-title:Organic Chemistry Frontiers
language:en
Short-container-title:Org. Chem. Front.

Author:

Zhao Xia¹²³⁴⁵^ORCID,Xu Jihong¹²³⁴⁵,Liu Chengbu¹²³⁴⁵,Zhang Dongju¹²³⁴⁵^ORCID

Affiliation:

1. Key Lab of Colloid and Interface Chemistry

2. Ministry of Education

3. Institute of Theoretical Chemistry

4. School of Chemistry and Chemical Engineering

5. Shandong University

Abstract

DFT calculations clarified the mechanism of Ni/NHC-catalyzed C–H alkylation of alkene tethered fluoroarene and rationalized enantio-, regio- and chemoselectivities.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/QO/D0QO01594F

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3. Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-β -hydroxylase