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 b...

Полное описание

Сохранить в:

Библиографические подробности
Главные авторы:	Demidov, O. P., Демидов, О. П.
Формат:	Статья
Язык:	English
Опубликовано:	Springer 2025
Темы:	Benzoxazole X-ray diffraction analysis Quantum chemical calculations Quinone imine Reactivity inversion
Online-ссылка:	https://dspace.ncfu.ru/handle/123456789/30434
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!

id	ir-123456789-30434
record_format	dspace
spelling	ir-123456789-304342025-05-06T14:18:11Z Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation Demidov, O. P. Демидов, О. П. Benzoxazole X-ray diffraction analysis Quantum chemical calculations Quinone imine Reactivity inversion 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. 2025-05-06T14:17:25Z 2025-05-06T14:17:25Z 2025 Статья Khodykina E.S., Steglenko D.V., Shepelenko K.E., Demidov O.P., Kolodina A.A. Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation // Russian Chemical Bulletin. - 2025. - 74 (2). - pp. 538 - 543. - DOI: 10.1007/s11172-025-4548-z https://dspace.ncfu.ru/handle/123456789/30434 en Russian Chemical Bulletin application/pdf application/pdf Springer
institution	СКФУ
collection	Репозиторий
language	English
topic	Benzoxazole X-ray diffraction analysis Quantum chemical calculations Quinone imine Reactivity inversion
spellingShingle	Benzoxazole X-ray diffraction analysis Quantum chemical calculations Quinone imine Reactivity inversion Demidov, O. P. Демидов, О. П. Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
description	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.
format	Статья
author	Demidov, O. P. Демидов, О. П.
author_facet	Demidov, O. P. Демидов, О. П.
author_sort	Demidov, O. P.
title	Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
title_short	Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
title_full	Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
title_fullStr	Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
title_full_unstemmed	Alternative product of the cyclization of ortho-[O-(4-nitrobenzyl)]-substituted N-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
title_sort	alternative product of the cyclization of ortho-[o-(4-nitrobenzyl)]-substituted n-phenylquinone imine: structure and quantum chemical studies of the mechanism of formation
publisher	Springer
publishDate	2025
url	https://dspace.ncfu.ru/handle/123456789/30434
work_keys_str_mv	AT demidovop alternativeproductofthecyclizationoforthoo4nitrobenzylsubstitutednphenylquinoneiminestructureandquantumchemicalstudiesofthemechanismofformation AT demidovop alternativeproductofthecyclizationoforthoo4nitrobenzylsubstitutednphenylquinoneiminestructureandquantumchemicalstudiesofthemechanismofformation
_version_	1842245825229488128

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

Схожие документы