ON THE QUESTION OF THE MOLECULAR MECHANISM OF <i>N</i>-NITROPYRAZOLE REARRANGEMENT

Авторы

  • Radomir Jasiński Cracow University of Technology, Institute of Organic Chemistry and Technology, 24 Warszawska St., Cracow 31-155

DOI:

https://doi.org/10.1007/5589

Ключевые слова:

nitropyrazole, DFT calculations, [1, 5]-sigmatropic shift

Аннотация

The molecular mechanism of the rearrangement of 3-substituted 1-nitro-1H-pyrazoles into the corresponding 5-nitro-1H-pyrazoles was explored on the basis of the DFT computational study. It was found that these transformations proceed via two-step mechanism. The first step can be interpreted as [1,5]-sigmatropic NO2 shift, whereas the second step can be interpreted as [1,5]-sigmatropic proton shift.

Загрузки

Опубликован

2020-10-14

Выпуск

Том 56 № 9 (2020)

Раздел

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