SYNTHESIS AND PROPERTIES OF AZOLES AND AZOLE DERIVATIVES. 63. QUANTUM-CHEMICAL ANALYSIS OF [2+3] CYCLOADDITION OF 3-NITRO-1-PROPENE WITH TRIPHENYLNITRONE

Authors

  • Р. Ясиньски Krakow University of Technology, 31-155 Krakow
  • Э. Ясиньска Krakow University of Technology, 31-155 Krakow
  • A. Бараньски Krakow University of Technology, 31-155 Krakow

DOI:

https://doi.org/10.1007/7102

Keywords:

nitroisoxazolidines, [2 3] cycloaddition, AM1/COSMO, mechanism

Abstract

Quantum-chemical calculations using the semiempirical AM1/COSMO method have shown that the regioselectivity of [2+3] cycloaddition of 3-nitro-1-propene to triphenylnitrone is a function of thermodynamic factors.

How to Cite
Jasiński, R.; Jasińska, E.; Barański, A.  Chem. Heterocycl. Compd. 2008, 44, 735. [Khim. Geterotsikl. Soedin. 2008, 913.]

For this article in the English edition see DOI 10.1007/s10593-008-0102-9


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Published

2022-10-04

Issue

No. 6 (2008)

Section

Original Papers