Insights into the temperature-driven competitive pericyclic transformations of allyloxy furan†

IF 2.7 3区化学 Q1 CHEMISTRY, ORGANIC

Organic & Biomolecular Chemistry Pub Date : 2025-07-07 DOI:10.1039/D5OB01036E

Rishu, Dinesh Kumar Gopalakrishnan, Janakiram Vaitla and Tarak Karmakar

引用次数: 0

Abstract

Here, using comprehensive density functional theory calculations augmented by labeling studies, we investigated the mechanistic details of low temperature [3,3]-sigmatropic rearrangement reaction of allyoxy furan and its [4+2]-cycloaddition reaction with acetylene dicarboxylate. In particular, we identify important factors contributing to the low energy requirement of the [3,3]-sigmatropic rearrangement reaction.

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烯丙氧基呋喃的温度驱动的竞争性周环转化。

本文利用标记研究增强的综合密度泛函理论计算，研究了烯氧基呋喃的低温[3,3]-异位重排反应及其与二羧酸乙炔的[4+2]-环加成反应的机理细节。特别是，我们确定了导致[3,3]-异位重排反应能量需求低的重要因素。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organic & Biomolecular Chemistry 化学-有机化学

CiteScore

5.50

自引率

9.40%

发文量

1056

审稿时长

1.3 months

期刊介绍： Organic & Biomolecular Chemistry is an international journal using integrated research in chemistry-organic chemistry. Founded in 2003 by the Royal Society of Chemistry, the journal is published in Semimonthly issues and has been indexed by SCIE, a leading international database. The journal focuses on the key research and cutting-edge progress in the field of chemistry-organic chemistry, publishes and reports the research results in this field in a timely manner, and is committed to becoming a window and platform for rapid academic exchanges among peers in this field. The journal's impact factor in 2023 is 2.9, and its CiteScore is 5.5.