DFT study on ruthenium-catalyzed N-methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C

DFT study on ruthenium-catalyzed N-methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C–C activation

Published:2022 Issue:24 Volume:9 Page:6808-6816
ISSN:2052-4129
Container-title:Organic Chemistry Frontiers
language:en
Short-container-title:Org. Chem. Front.

Author:

Wu Zi-Hao¹,Fang De-Cai¹^ORCID

Affiliation:

1. College of Chemistry, Beijing Normal University, Beijing 100875, China

Abstract

B3LYP-D3a+IDSCRF/tzp-dkh(-dfg) calculations indicate that CO as a directing group is much more favourable than the N–H group, and the real active catalyst is an ionic type with one [SbF6]− group.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/QO/D2QO01487D

Reference75 articles.

1. Rhodium-Catalyzed C−C Bond Formation via Heteroatom-Directed C−H Bond Activation

2. Palladium-Catalyzed Ligand-Directed C−H Functionalization Reactions

3. Carboxylate-Assisted Ruthenium-Catalyzed Alkyne Annulations by C–H/Het–H Bond Functionalizations

4. Arene C–H functionalisation using a removable/modifiable or a traceless directing group strategy

5. Synthesis of Highly Substituted Acenes through Rhodium-Catalyzed Oxidative Coupling of Arylboron Reagents with Alkynes

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