Molecular design principles towards exo-exclusive Diels-Alder reactions

Ci Jhang Huang, Elise Y. Li*

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

摘要

The exo selective Diels-Alder reactions, reported as special cases, usually involve catalytic reaction conditions and specific cyclic structural motifs on the diene and/or the dienophile. Here we report a systematic computational investigation on the substituent effect for simple, linear dienes and dienophiles towards exo control in Diels-Alder reactions under thermal conditions. Through detailed characterization of reaction pathways for Diels-Alder cycloadditions between linear dienes and dienophiles with various substituents, we summarize a set of design principles aiming for an optimal and nearly-exclusive exo selectivity. These results shall lead to valuable guidelines and more versatile strategies in organic synthesis that are in accordance with the principles of green chemistry.

原文英語
頁(從 - 到)7246-7250
頁數5
期刊RSC Advances
9
發行號13
DOIs
出版狀態已發佈 - 2019

ASJC Scopus subject areas

  • 化學 (全部)
  • 化學工程 (全部)

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