An Expansion of Crystalline Sponge X-ray Analysis to Elucidate the Molecular Structure of Reactive Compounds via Ion Pair Formation.,Chemistry - A European Journal

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An Expansion of Crystalline Sponge X-ray Analysis to Elucidate the Molecular Structure of Reactive Compounds via Ion Pair Formation.
Chemistry - A European Journal ( IF 3.9 ) Pub Date : 2020-07-29 , DOI: 10.1002/chem.202002504
Yoshimasa Taniguchi ₁ , Rie Matsumoto ₁ , Tomoyuki Kadota ₁

Affiliation

The crystalline sponge (CS) method allows structural elucidation of a target compound (guest) in solution by single crystal X‐ray diffraction through trapping the guest into the CS framework. In principle, the CS method is inapplicable to reactive compounds that break the CS framework, such as acidic, basic, or nucleophilic ones. Here, a solution to this problem is disclosed wherein an ion pair of the guest compound is formed during the guest‐soaking step by adding a suitable reagent. The ion pair can be observed and does not damage the CS framework. Using the developed method, amino, guanidino, and amidino compounds have been successfully analyzed as ion pairs with sulfonic acids. Practical utility has been shown because the absolute configurations of optically resolved amine derivatives were revealed with only a few micrograms. This demonstrates that the ion‐pair‐soaking method is simple and expands the range of compounds applicable to the CS method.

中文翻译：

结晶海绵X射线分析的扩展，以阐明通过离子对形成反应性化合物的分子结构。

结晶海绵（CS）方法可通过将客体捕获到CS骨架中，通过单晶X射线衍射对溶液中的目标化合物（来宾）进行结构解析。原则上，CS方法不适用于破坏CS骨架的反应性化合物，例如酸性，碱性或亲核化合物。这里，公开了解决该问题的解决方案，其中在客体浸泡步骤期间通过添加合适的试剂形成客体化合物的离子对。可以观察到离子对，并且不会损坏CS框架。使用开发的方法，已成功地分析了氨基，胍基和a基化合物与磺酸的离子对。已经显示出实用性，因为仅几微克就揭示了旋光胺衍生物的绝对构型。

更新日期：2020-07-29

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