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受密度泛函理论/含时密度泛函理论模拟的光活性镍物种启发的光诱导自促进镍催化三组分芳基磺化反应

Photoinduced Autopromoted Ni-Catalyzed Three-Component Arylsulfonation Inspired by Density Functional Theory/Time-Dependent Density Functional Theory-Simulated Photoactive Nickel Species.

作者信息

Zhang Feng, Cheng Xiu-Fen, Liang Xiaolin, Hu Duo-Duo, Gao Qian, Wang Hongliang, Wu Peng, Li Yan

机构信息

Chemical Biology Center, School of Pharmaceutical Sciences & Institute of Materia Medica, Shandong First Medical University & Shandong Academy of Medical Sciences, Jinan, Shandong 250117, China.

Department of Chemical Biology, Max Planck Institute of Molecular Physiology, 44227 Dortmund, Germany.

出版信息

Org Lett. 2025 Jan 10;27(1):217-222. doi: 10.1021/acs.orglett.4c04222. Epub 2024 Dec 23.

DOI:10.1021/acs.orglett.4c04222
PMID:39715526
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11731393/
Abstract

The structure of the novel photoactive nickel species was simulated by density functional theory (DFT)/time-dependent density functional theory (TD-DFT) calculations. The application of the simplified photoactive nickel catalyst was demonstrated in a photoinduced nickel-catalyzed three-component arylsulfonation of 1,6-enynes. This reaction was autopromoted and proceeded in the absence of an additional photocatalyst. This methodology exhibited mild conditions, a broad substrate scope, and high efficiency.

摘要

通过密度泛函理论（DFT）/含时密度泛函理论（TD-DFT）计算模拟了新型光活性镍物种的结构。在光诱导镍催化的1,6-烯炔的三组分芳基磺化反应中展示了简化光活性镍催化剂的应用。该反应是自促进的，在没有额外光催化剂的情况下进行。该方法具有温和的条件、广泛的底物范围和高效率。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/3ff5e36e257b/ol4c04222_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/5c46b04b0134/ol4c04222_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/4a12864bb1c6/ol4c04222_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/3ff5e36e257b/ol4c04222_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/5c46b04b0134/ol4c04222_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/4a12864bb1c6/ol4c04222_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68d6/11731393/3ff5e36e257b/ol4c04222_0002.jpg

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Visible Light-Induced Transition Metal Catalysis.可见光诱导的过渡金属催化。
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