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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >The ring-chain tautomeric equilibria of selenium macrocyclic compounds: The isolation of the ring tautomer
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The ring-chain tautomeric equilibria of selenium macrocyclic compounds: The isolation of the ring tautomer

机译：硒大环化合物的环链互变异构平衡：环互变异构体的分离

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摘要

A broadening of the investigation of the ring-chain tautomeric process of N-substituted 1,3-X,N-heterocycles (X = O, S, NR) to Se containing macrocyclic compounds allowed the isolation and structurally solid state characterization of the cyclic tautomer 7, which due to the length of the aliphatic chain, is able to form a stable six-membered ring (6-endo-trig). The theoretical calculations based on the DFT method (Gaussian 03 software package) also support the fact that tautomer 7 is more stable than the chain tautomer 6. Thus, based on the ring-chain tautomerism of the macrocycles that contain alkyl chains with amino-imino, imino-alcohol or sulphur-imino groups, combined with a strategy that allows the formation of a stable six-membered ring, the main reaction products will be the cyclic tautomers. The ring-chain equilibria of these macrocycles could be exploited advantageously in different areas of macrocyclic, physical and medicinal chemistry in order to obtain compounds with practical applications.
机译：N-取代的1,3-X，N-杂环（X = O，S，NR）到含硒大环化合物的环链互变异构过程的研究范围的扩大允许对环的分离和结构固态表征由于脂族链的长度，互变异构体7能够形成稳定的六元环（6-内-trig）。基于DFT方法（高斯03软件包）的理论计算也支持互变异构体7比链状互变异构体6更稳定的事实。因此，基于含有烷基链和氨基亚氨基的大环的环链互变异构现象亚氨基醇或硫亚氨基，结合允许形成稳定的六元环的策略，主要反应产物将是环状互变异构体。为了获得具有实际应用的化合物，可以在大环，物理和药物化学的不同领域中有利地利用这些大环的环链平衡。

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