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Updated: Jun 7, 2025

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
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戴维斯双模C-H功能化/应对重新排列反应的分子动力学

Yaling Zhang1,2, Chaoqin Cao1, Yuanbin She1

  • 1College of Chemical Engineering, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, Zhejiang University of Technology, Hangzhou, Zhejiang 310014, China.

The Journal of organic chemistry
|November 19, 2024
PubMed
概括

用计算方法研究了二催化反应. 过渡状态后的势头驱动了朝着组合的CH功能化/Cope重组产品的轨迹.

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The Cope rearrangement is classified as a [3,3] sigmatropic shift in 1,5-dienes, leading to a more stable, isomeric 1,5-diene. The reaction involves a concerted movement of six electrons, four from two π bonds and two from a σ bond, via an energetically favorable chair-like transition state.
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Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
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Thermal cycloadditions are reactions where the source of activation energy needed to initiate the reaction is provided in the form of heat. A typical example of a thermally-allowed cycloaddition is the Diels–Alder reaction, which is a [4 + 2] cycloaddition. In contrast, a [2 + 2] cycloaddition is thermally forbidden.
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