Electronic Effects of Bidentate P,N-Ligands on the Elementary Steps of Au(I)/Au(III) Reactions Relevant to Cross-Coupling Chemistry

IF 4.9 1区化学 Q1 CHEMISTRY, ORGANIC

Organic Letters Pub Date : 2024-12-09 DOI:10.1021/acs.orglett.4c0404510.1021/acs.orglett.4c04045

Joseph W. Treacy, Elaine Y. Chao, Grace E. Kunkel, Thomas Louis-Goff, James A. R. Tilden, Alexander M. Spokoyny*, Heather D. Maynard* and K. N. Houk*,

引用次数: 0

Abstract

Oxidant-free Au(I)/Au(III)-catalyzed cross-coupling has been recently enabled by the use of bidentate P,N-ligands. To further develop these P,N-ligands, computational studies were performed to understand their effects on the oxidative addition of aryl iodide electrophiles with Au(I). Using this mechanistic understanding, six new electron-rich P,N-ligands were synthesized. The ligand exchange equilibrium and reductive elimination were then characterized by using a Au(III)-mediated S-arylation reaction. The results detailed herein provide new fundamental insights in Au(I)/Au(III) ligand design.

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双齿 P,N 配体对与交叉偶联化学有关的金（I）/金（III）反应初级步骤的电子效应

无氧化剂Au(I)/Au（III）催化的交叉偶联最近通过使用双齿P， n配体实现。为了进一步开发这些P， n配体，进行了计算研究，以了解它们对碘化芳基亲电试剂与Au(I)氧化加成的影响。利用这一机理，合成了6种新的富电子P， n配体。然后用Au（III）介导的s -芳基化反应表征配体交换平衡和还原消除。本文详细介绍的结果为Au(I)/Au（III）配体设计提供了新的基本见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organic Letters 化学-有机化学

CiteScore

9.30

自引率

11.50%

发文量

1607

审稿时长

1.5 months

期刊介绍： Organic Letters invites original reports of fundamental research in all branches of the theory and practice of organic, physical organic, organometallic,medicinal, and bioorganic chemistry. Organic Letters provides rapid disclosure of the key elements of significant studies that are of interest to a large portion of the organic community. In selecting manuscripts for publication, the Editors place emphasis on the originality, quality and wide interest of the work. Authors should provide enough background information to place the new disclosure in context and to justify the rapid publication format. Back-to-back Letters will be considered. Full details should be reserved for an Article, which should appear in due course.