自由基介导的 O/S-取代杂芳基的远程同面迁移及迁移倾向的 DFT 研究。
Radical-Mediated Distal Ipso-Migration of O/S-Containing Heteroaryls and DFT Studies for Migratory Aptitude.
机构信息
Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 199 Ren-Ai Road, Suzhou, Jiangsu 215123, China.
出版信息
Org Lett. 2020 Aug 7;22(15):5947-5952. doi: 10.1021/acs.orglett.0c02030. Epub 2020 Jul 23.
Herein we describe an efficient distal ipso-migration of - and -containing heteroaryls and the radical heteroarylation of unactivated alkenes. The migration is triggered by various fluoroalkyl radicals, leading to valuable multifunctionalized ketones. The comparisons of migratory aptitude for -/-containing heteroaryls are comprehensively investigated. The origin of the chemoselective migration could be partially attributed to the discrepancy in the energy level of the LUMO of each heteroaryl group.
在此，我们描述了一种高效的含 - 和 - 的杂芳基的远端顺式迁移以及未活化烯烃的自由基杂芳基化反应。迁移由各种氟烷基自由基引发，生成有价值的多功能化酮。我们对含 -/-的杂芳基的迁移适应性进行了全面的比较研究。化学选择性迁移的起源部分归因于每个杂芳基基团的 LUMO 能级的差异。
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