Mechanistic insights into intermolecular cyclization of ring-fused benzocyclobutenols with alkynes catalyzed by [{Ir(OMe)COD}2]
Literature Information
Publication Date
2019-02-04
DOI
10.1039/C8QO01371C
Impact Factor
5.281
Authors
Yang Zhao, Ping Wang, Yun Gao, Chen Zhu, Wei Liu, Yong Wang
View Original
Abstract
A mechanism study of iridium-catalyzed intermolecular cyclization of ring-fused benzocyclobutenols with alkynes is described using density functional theory (DFT). Possible transition states with relatively low barriers have been achieved in the presence of [{Ir(OMe)COD}2]. Noncovalent interaction (NCI) analyses show a favorable cooperative noncovalent interaction (C–H⋯π interactions) between the cyclohexyl group of substrates and the aromatic ring of alkynes.
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Source Journal
Organic Chemistry Frontiers
CiteScore:
7.8
Self-citation Rate:
8.7%
Articles per Year:
724
Organic Chemistry Frontiers publishes high-quality research from across organic chemistry. Emphases are placed on studies that make significant contributions to the field of organic chemistry by reporting either new or significantly improved protocols or methodologies. Topics include, but are not limited to the following: Organic synthesis Development of synthetic methodologies Catalysis Natural products Functional organic materials Supramolecular and macromolecular chemistry Physical and computational organic chemistry
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2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol
CAS Number:
222723-55-9
Molecular Formula:
C23H40O3
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2,4-Dichloro-6-isopropyl-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
CAS Number:
1079649-94-7
Molecular Formula:
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