化学
部分
催化作用
吡啶
密度泛函理论
组合化学
不对称氢化
Noyori不对称加氢
戒指(化学)
有机化学
对映选择合成
催化加氢
立体异构
光学活性
分子
计算化学
失真(音乐)
立体化学
作者
Zheng-Yan Huang,Jiayu Wei,P. Hu,Pu‐Cha Yan,Yuanqiang Li,Jian‐Hua Xie,Qi‐Lin Zhou
出处
期刊:Organic Letters
[American Chemical Society]
日期:2025-10-10
卷期号:27 (42): 11724-11730
被引量:1
标识
DOI:10.1021/acs.orglett.5c03425
摘要
A series of 6-carbazole-modified Ir-SpiroPAP catalysts were designed for the asymmetric hydrogenation of indenones to chiral indenols. The optimized catalyst, featuring a 6-carbazole moiety on the pyridine ring and 3,5-dimethyl groups on the P -phenyl rings, achieved up to 98% yield, 95% ee, and an impressive turnover number (TON) of 7200. Density Functional Theory (DFT) analyses revealed that the 6-carbazole unit enhances catalyst rigidity, influencing enantioselectivity by inducing geometric distortion of the indenones during the hydrogenation process.
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