邻位-[O-（4-硝基苄基）]取代n -苯基醌亚胺环化的替代产物：结构及形成机理的量子化学研究

IF 1.7 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Russian Chemical Bulletin Pub Date : 2025-03-27 DOI:10.1007/s11172-025-4548-z

E. S. Khodykina, D. V. Steglenko, K. E. Shepelenko, O. P. Demidov, A. A. Kolodina

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引用次数: 0

摘要

N-（3′，5′-二叔丁基-4′-羟基苯基）-N-（2″-羟基苯基）-4-硝基苯甲酰胺是N-苯基醌亚胺O-（4-硝基苯基）醚环化生成苯并恶唑环的替代产物。通过1H和13C核磁共振谱、高分辨率质谱、x射线衍射分析确定了产物的结构。对该化合物的形成机理进行了量子化学计算。

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Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation

N-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)-N-(2″-hydroxyphenyl)-4-nitrobenzamide was found to be an alternative product in the cyclization reaction of O-(4-nitrobenzyl) ether of N-phenylquinone imine proceeding through the formation of a benzoxazole ring. The structure of the product was established by ¹H and ¹³C NMR spectroscopy, high-resolution MS spectrometry, and X-ray diffraction analysis. Quantum chemical calculations of plausible mechanism of the formation of this compound were carried out.

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来源期刊

Russian Chemical Bulletin 化学-化学综合

CiteScore

2.70

自引率

47.10%

发文量

257

审稿时长

3-8 weeks

期刊介绍： Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections: General and Inorganic Chemistry; Physical Chemistry; Organic Chemistry; Organometallic Chemistry; Chemistry of Natural Compounds and Bioorganic Chemistry.