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用于反应性底物构象分析的氢键框架

Hydrogen-bonded frameworks for conformational analysis of reactive substrates.

作者信息

Dillon Alexandra M, Shtukenberg Alexander G, Demkiw Krystyna M, Woerpel K A, Ward Michael D

机构信息

Department of Chemistry, New York University, New York City, New York, 10003, USA.

出版信息

Chem Commun (Camb). 2024 Oct 10;60(82):11770-11773. doi: 10.1039/d4cc03430a.

Abstract

Guanidinium organosulfonate (GS) hydrogen-bonded host frameworks were used to trap α-halopropiophenones and α-halocyclooctanones to determine their molecular structure by single crystal X-ray diffraction. The majority of encapsulated guest molecules adopted conformations expected from computational analysis and stereochemical outcomes of Grignard reactions.

摘要

胍基有机磺酸盐(GS)氢键主体框架被用于捕获α-卤代苯丙酮和α-卤代环辛酮,通过单晶X射线衍射确定它们的分子结构。大多数被封装的客体分子采用了从计算分析和格氏反应的立体化学结果所预期的构象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f373/11834950/f1d3fc7397a0/nihms-2052974-f0001.jpg

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Conformational Landscape of α-Halopropiophenones Determined by NMR Reveals Unexpected Patterns and Geometric Constraints.
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The Cambridge Structural Database.剑桥结构数据库。
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