吡啶酰胺离子对:超亲核试剂在极性有机溶剂中的设计原则。

IF 3.6 2区 化学 Q1 CHEMISTRY, ORGANIC Journal of Organic Chemistry Pub Date : 2025-02-14 Epub Date: 2025-01-30 DOI:10.1021/acs.joc.4c02668
Veronika Burger, Maximilian Franta, AnnMarie C O'Donoghue, Armin R Ofial, Ruth M Gschwind, Hendrik Zipse
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引用次数: 0

摘要

采用电导率、扩散有序核磁共振(DOSY)和光度动力学测量相结合的综合分析方法,分析了吡啶酰胺离子对在低极性有机溶剂中的亲核反应性。发现这些体系的结合模式强烈依赖于阳离子的大小,较大的阳离子有利于形成阳离子三离子三明治配合物,以及自由和高度亲核的阴离子。使用离子强度控制的苯并氢化物方法进行的动力学研究表明,与现有的有机催化剂相比,吡啶酰胺离子表现出明显更高的亲核性,特别是在低极性溶剂中。进一步发现亲核性与在水中测量的Brønsted碱度和在二氯甲烷中计算的Lewis碱度有很好的相关性。综上所述,这些发现为未来设计高活性路易斯碱催化剂提供了定量指导。
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Pyridinamide Ion Pairs: Design Principles for Super-Nucleophiles in Apolar Organic Solvents.

A comprehensive analytical protocol combining conductivity, diffusion-ordered NMR (DOSY), and photometric kinetic measurements is employed to analyze the nucleophilic reactivity of pyridinamide ion pairs in low-polarity organic solvents. The association patterns of these systems are found to strongly depend on cation size, with larger cations favoring the formation of cationic triple ion sandwich complexes together with free and highly nucleophilic anions. Kinetic studies using the ionic strength-controlled benzhydrylium method demonstrate that pyridinamide ions exhibit significantly higher nucleophilicities as compared to established organocatalysts, particularly in low-polarity solvents. Nucleophilicities are furthermore found to correlate well with Brønsted basicities measured in water and with Lewis basicities calculated in dichloromethane. Taken together, these findings provide quantitative guidelines for the future design of highly active Lewis base catalysts.

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来源期刊
Journal of Organic Chemistry
Journal of Organic Chemistry 化学-有机化学
CiteScore
6.20
自引率
11.10%
发文量
1467
审稿时长
2 months
期刊介绍: Journal of Organic Chemistry welcomes original contributions of fundamental research in all branches of the theory and practice of organic chemistry. In selecting manuscripts for publication, the editors place emphasis on the quality and novelty of the work, as well as the breadth of interest to the organic chemistry community.
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