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Synthesis and properties of azoles and azole derivatives 63. Quantum-chemical analysis of [2+3] cycloaddition of 3-nitro-1-propene with triphenylnitrone

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Chemistry of Heterocyclic Compounds Aims and scope

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.

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Authors and Affiliations

  1. Krakow University of Technology, 31-155, Krakow, Poland

    R. Jasiński, E. Jasińska & A. Barański

Authors
  1. R. Jasiński
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  2. E. Jasińska
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  3. A. Barański
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Correspondence to R. Jasiński.

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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp.913–917, June, 2008.

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Jasiński, R., Jasińska, E. & Barański, A. Synthesis and properties of azoles and azole derivatives 63. Quantum-chemical analysis of [2+3] cycloaddition of 3-nitro-1-propene with triphenylnitrone. Chem Heterocycl Comp 44, 735–738 (2008). https://doi.org/10.1007/s10593-008-0102-9

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  • DOI: https://doi.org/10.1007/s10593-008-0102-9

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