{"title":"以氯胺酮为基础的Umpolung策略使铜催化的1,3-偶极环加成成为可能","authors":"Hui-Ling Qian, , , Hong-Dan Deng, , , Lei Yang, , , Zhen-Hua Wang, , , Yong You, , , Wenjing Zhang*, , , Wei-Cheng Yuan*, , and , Jian-Qiang Zhao*, ","doi":"10.1021/acscatal.5c06243","DOIUrl":null,"url":null,"abstract":"<p >Catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides with various dipolarophiles has emerged as an efficient method for preparing pyrrolidine ring systems through normal [3 + 2] cycloadditions. However, achieving the catalytic enantioselective regio-reversed [3 + 2] cycloadditions via an imine-based umpolung strategy remains a formidable challenge. In this work, we present a copper-catalyzed umpolung of <i>N</i>-2,2,2-trifluoroethyl benzo[<i>b</i>]thiophene-2,3-dione-derived ketimines for the regio-reversed enantioselective 1,3-dipolar cycloaddition with benzo[<i>b</i>]thiophene sulfones. This strategy offers a highly regio-, diastereo-, and enantioselective approach for preparing chiral polycyclic spiro-compounds containing benzothiophenone, α-trifluoromethyl pyrrolidine, and benzosulfolane subunits, featuring four contiguous stereocenters with good results (up to 98% yield, all cases >20:1 dr and >99% ee). Density functional theory computational studies shed light on the reaction mechanism and the origin of the stereoselective control in this regio-reversed cycloaddition. The practicality and versatility of the methodology were also demonstrated by scale-up experiments and different transformations of the product.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"15 20","pages":"17591–17602"},"PeriodicalIF":13.1000,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Copper-Catalyzed Enantioselective 1,3-Dipolar Cycloaddition Enabled by a Ketimine-Based Umpolung Strategy\",\"authors\":\"Hui-Ling Qian, , , Hong-Dan Deng, , , Lei Yang, , , Zhen-Hua Wang, , , Yong You, , , Wenjing Zhang*, , , Wei-Cheng Yuan*, , and , Jian-Qiang Zhao*, \",\"doi\":\"10.1021/acscatal.5c06243\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides with various dipolarophiles has emerged as an efficient method for preparing pyrrolidine ring systems through normal [3 + 2] cycloadditions. However, achieving the catalytic enantioselective regio-reversed [3 + 2] cycloadditions via an imine-based umpolung strategy remains a formidable challenge. In this work, we present a copper-catalyzed umpolung of <i>N</i>-2,2,2-trifluoroethyl benzo[<i>b</i>]thiophene-2,3-dione-derived ketimines for the regio-reversed enantioselective 1,3-dipolar cycloaddition with benzo[<i>b</i>]thiophene sulfones. This strategy offers a highly regio-, diastereo-, and enantioselective approach for preparing chiral polycyclic spiro-compounds containing benzothiophenone, α-trifluoromethyl pyrrolidine, and benzosulfolane subunits, featuring four contiguous stereocenters with good results (up to 98% yield, all cases >20:1 dr and >99% ee). Density functional theory computational studies shed light on the reaction mechanism and the origin of the stereoselective control in this regio-reversed cycloaddition. The practicality and versatility of the methodology were also demonstrated by scale-up experiments and different transformations of the product.</p>\",\"PeriodicalId\":9,\"journal\":{\"name\":\"ACS Catalysis \",\"volume\":\"15 20\",\"pages\":\"17591–17602\"},\"PeriodicalIF\":13.1000,\"publicationDate\":\"2025-10-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Catalysis \",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acscatal.5c06243\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Catalysis ","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acscatal.5c06243","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Copper-Catalyzed Enantioselective 1,3-Dipolar Cycloaddition Enabled by a Ketimine-Based Umpolung Strategy
Catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides with various dipolarophiles has emerged as an efficient method for preparing pyrrolidine ring systems through normal [3 + 2] cycloadditions. However, achieving the catalytic enantioselective regio-reversed [3 + 2] cycloadditions via an imine-based umpolung strategy remains a formidable challenge. In this work, we present a copper-catalyzed umpolung of N-2,2,2-trifluoroethyl benzo[b]thiophene-2,3-dione-derived ketimines for the regio-reversed enantioselective 1,3-dipolar cycloaddition with benzo[b]thiophene sulfones. This strategy offers a highly regio-, diastereo-, and enantioselective approach for preparing chiral polycyclic spiro-compounds containing benzothiophenone, α-trifluoromethyl pyrrolidine, and benzosulfolane subunits, featuring four contiguous stereocenters with good results (up to 98% yield, all cases >20:1 dr and >99% ee). Density functional theory computational studies shed light on the reaction mechanism and the origin of the stereoselective control in this regio-reversed cycloaddition. The practicality and versatility of the methodology were also demonstrated by scale-up experiments and different transformations of the product.
期刊介绍:
ACS Catalysis is an esteemed journal that publishes original research in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. It offers broad coverage across diverse areas such as life sciences, organometallics and synthesis, photochemistry and electrochemistry, drug discovery and synthesis, materials science, environmental protection, polymer discovery and synthesis, and energy and fuels.
The scope of the journal is to showcase innovative work in various aspects of catalysis. This includes new reactions and novel synthetic approaches utilizing known catalysts, the discovery or modification of new catalysts, elucidation of catalytic mechanisms through cutting-edge investigations, practical enhancements of existing processes, as well as conceptual advances in the field. Contributions to ACS Catalysis can encompass both experimental and theoretical research focused on catalytic molecules, macromolecules, and materials that exhibit catalytic turnover.