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Computational Insight into Cu-Catalyzed C sp -S Coupling to Form a Macrocyclic Alkynyl Sulfide.

Authors :
Morency M
Iftimie R
Collins SK
Source :
The Journal of organic chemistry [J Org Chem] 2021 Apr 02; Vol. 86 (7), pp. 5120-5128. Date of Electronic Publication: 2021 Mar 17.
Publication Year :
2021

Abstract

Copper-catalyzed C <subscript>sp</subscript> -S cross-coupling is known to form rare macrocyclic alkynyl sulfides. Computational studies now suggest a mechanism for the reaction pathway. Upon formation of Cu-S species, subsequent α-addition/elimination at the ethynylic carbon affords the desired macrocycle.

Subjects

Subjects :
Carbon
Catalysis
Copper
Sulfides

Details

Language :
English
ISSN :
1520-6904
Volume :
86
Issue :
7
Database :
MEDLINE
Journal :
The Journal of organic chemistry
Publication Type :
Academic Journal
Accession number :
33729782
Full Text :
https://doi.org/10.1021/acs.joc.0c03068