DFT Studies on the Mechanism of the Iridium-Catalyzed Formal [4 + 1] Cycloaddition of Biphenylene with Alkenes

Hideaki Takano, Natsuhiko Sugimura, Kyalo Stephen Kanyiva, Takanori Shibata

研究成果: Article査読

4 被引用数 (Scopus)

抄録

Recently, we reported an Ir-catalyzed formal [4 + 1] cycloaddition of biphenylenes with alkenes, which gave 9,9-disubstituted fluorenes in moderate to excellent yields. We proposed a reaction mechanism that involved the intermolecular insertion of alkenes, β-elimination, and intramolecular insertion based on the results of experimental mechanistic studies. Herein, we further support the proposed mechanism by density functional theory calculations and explain why [4 + 1] cycloaddition proceeds rather than conventional [4 + 2] cycloaddition.

本文言語English
ページ(範囲)5228-5234
ページ数7
ジャーナルACS Omega
2
8
DOI
出版ステータスPublished - 2017 8 31

ASJC Scopus subject areas

  • 化学 (全般)
  • 化学工学(全般)

フィンガープリント

「DFT Studies on the Mechanism of the Iridium-Catalyzed Formal [4 + 1] Cycloaddition of Biphenylene with Alkenes」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル