An electronic circular dichroism (ECD)-based chiroptical sensing method has been developed for β- and γ-chiral primary amines via a CH activation reaction. With the addition of Pd(OAc)2, the flexible remote chiral primary amine fragment in the bidentate ligand intermediate was fixed to form a cyclopalladium complex, producing an intense ECD response. The correlation between the sign of Cotton effects and the absolute configuration of substrates was proposed, together with theoretical verification using time-dependent density functional theory (TDDFT). Chiroptical sensing of an important drug raw material was performed to provide rapid and accurate information on the absolute optical purity. This work introduces an alternative perspective of CH activation reaction as well as a feasible chiroptical sensing method of remote chiral amines.

中文翻译：

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通过 C[sbnd]H 活化反应对远程手性胺进行手光传感


已经开发了一种基于电子圆二色谱 （ECD） 的手光传感方法，用于通过 CH 活化反应对β和γ手性伯胺。随着 Pd（OAc）2 的加入，双齿配体中间体中灵活的远程手性伯胺片段被固定形成环钯复合物，产生强烈的 ECD 反应。提出了棉花效应符号与底物绝对构型之间的相关性，并使用时间依赖性密度泛函理论 （TDDFT） 进行了理论验证。对一种重要的药物原料进行手性传感，以提供有关绝对光学纯度的快速和准确信息。这项工作介绍了 CH 活化反应的另一种视角以及一种可行的远程手性胺手性光学传感方法。