A mechanistic study on Cu(i) catalyzed carboxylation of the C–F bond with CO2: a DFT study-Reference-Cited by-同舟云学术

A mechanistic study on Cu(i) catalyzed carboxylation of the C–F bond with CO2: a DFT study

Published:2020 Issue:44 Volume:18 Page:9065-9071
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Liu Jiao¹²³⁴⁵,Nie Wan¹²³⁴⁵,Yu Haizhu⁵⁶⁷⁸⁹,Shi Jing¹²³⁴⁵^ORCID

Affiliation:

1. Hefei National Laboratory for Physical Sciences at the Microscale

2. iChEM

3. CAS Key Laboratory of Urban Pollutant Conversion

4. Anhui Province Key Laboratory of Biomass Clean Energy

5. Department of Chemistry

6. Center for Atomic Engineering of Advanced Materials

7. Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized Materials

8. Anhui University

9. Hefei

Abstract

Cu(i) catalyzed carboxylation of the C–F bond is an excellent method for construction of complex fluoroacrylate compounds with high regioselectivity. Here, theoretical calculations were carried out to investigate the detailed mechanism and origin of regioselectivity.

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/OB/D0OB01414A

Reference60 articles.

1. The fluoroalkene motif as a surrogate of the amide bond: syntheses of AA-Ψ[(Z) and (E)-CFCH]-Pro pseudodipeptides and an Enalapril analogue

2. Inhibition of hepatitis C virus NS5A by fluoro-olefin based γ-turn mimetics