Treacy Joseph W, Chao Elaine Y, Kunkel Grace E, Louis-Goff Thomas, Tilden James A R, Spokoyny Alexander M, Maynard Heather D, Houk K N
Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California, Los Angeles, California 90095-1569, United States.
Org Lett. 2024 Dec 20;26(50):10875-10879. doi: 10.1021/acs.orglett.4c04045. Epub 2024 Dec 9.
Oxidant-free Au(I)/Au(III)-catalyzed cross-coupling has been recently enabled by the use of bidentate ,-ligands. To further develop these ,-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 ,-ligands were synthesized. The ligand exchange equilibrium and reductive elimination were then characterized by using a Au(III)-mediated -arylation reaction. The results detailed herein provide new fundamental insights in Au(I)/Au(III) ligand design.
最近，通过使用双齿配体实现了无氧化剂的金（I）/金（III）催化交叉偶联。为了进一步开发这些配体，进行了计算研究以了解它们对芳基碘亲电试剂与金（I）的氧化加成的影响。基于这种机理认识，合成了六种新的富电子配体。然后通过金（III）介导的芳基化反应对配体交换平衡和还原消除进行了表征。本文详述的结果为金（I）/金（III）配体设计提供了新的基础见解。
