Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2018

Идентификатор DOI: 10.1016/j.molstruc.2018.04.018

Ключевые слова: Nitrosopyrazoles, Aminopyrazoles, Acylation, Tautomerism

Аннотация: As a result of the chain of transformations from 1,3-butanedione with aryl and methoxy substituents through nitrosation and cyclization with hydrazine, the corresponding nitrosopyrazoles and aminopyrazoles were synthesized. According to this scheme, eight new previously unknown compounds were obtained. Their structures were established by the methods of IR, UV, H-1 NMR, C-13 NMR spectroscopy and mass spectrometry. DFT method of quantum-chemical calculations showed that obtained aminopyrazoles can exist as two tautomers; it was also confirmed by NMR H-1 spectroscopy data. In the case of acylation, an isomer is formed, where aryl substituent takes place in the fifth, rather than in the third position of the pyrazole ring, as shown by the DFT calculations. (C) 2018 Elsevier B.V. All rights reserved.

Журнал: JOURNAL OF MOLECULAR STRUCTURE

Выпуск журнала: Vol. 1165

Номера страниц: 370-375

ISSN журнала: 00222860

Место издания: AMSTERDAM

Издатель: ELSEVIER SCIENCE BV

• Efimov Viktor V. (Reshemev Siberian State Univ Sci & Technol, 82 Mira Pr, Krasnoyarsk 660049, Russia)
• Krasnov Pavel O. (Reshemev Siberian State Univ Sci & Technol, 82 Mira Pr, Krasnoyarsk 660049, Russia; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
• Lyubyashkin Alexei V. (Reshemev Siberian State Univ Sci & Technol, 82 Mira Pr, Krasnoyarsk 660049, Russia)
• Suboch Georgii A. (Reshemev Siberian State Univ Sci & Technol, 82 Mira Pr, Krasnoyarsk 660049, Russia)
• Tovbis Mikhail S. (Reshemev Siberian State Univ Sci & Technol, 82 Mira Pr, Krasnoyarsk 660049, Russia)

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