Theoretical Studies on the Reaction Mechanism for the Cycloaddition of Zwitterionic π-Allenyl Palladium Species: Substrate-Controlled Isomerization.

Yongjie Long, Jiahao Shen, Min Shi, Yin Wei

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 citing paper in PubMed.

Cycloaddition and functionalization reactions involving tropone.RSC advances · 2025
Review

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5 · Who and what money

Authors and funding

4 authors.

Yongjie LongState Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, China.

Jiahao ShenState Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, China.

Min ShiState Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, China.ORCID 0000-0003-0016-5211

Yin WeiState Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, China.ORCID 0000-0003-0484-9231

Funding

Fundamental Research Funds for the Central Universities 222201717003National Key R & D Program of China 2023YFA1506700National Natural Science Foundation of China 21372250, 21121062, 21302203, 20732008, 21772037, 21772226, 21861132014, 91956115, 22171078Shanghai Municipal Science and Technology Major Project 2018SHZDZX03

6 · The paper itself

Abstract

Zwitterionic π-allenyl palladium species are newly developed intermediates. A substrate-controlled step existed in the cycloaddition of zwitterionic π-allenyl palladium species with tropsulfimides or tropones. With the assistance of previously experimental studies, zwitterionic allenyl/propargyl palladium species was provenly found by HRMS. Further DFT calculation studies show that zwitterionic π-allenyl palladium species are generated through the oxidative addition of Pd(0), which can be promoted by Lewis acid like Yb(OTf)

Indexed as

cycloadditionDFT calculationmechanistic studiespalladium catalyzedsubstrate-controlled reactionzwitterionic π-allenyl palladium species

Identifiers

PMID39795160

DOI10.3390/molecules30010103

PMCPMC11722397

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