Investigation of the mechanism of the heterocyclization of 1-heterobutadienylketenes using the MINDO/3, MPDP, and AM1 methods

Authors

  • B. А. Бакyлев Ural State Technical University, Ekaterinsburg 620002
  • Н. Ю. Биpючева Ural State Technical University, Ekaterinsburg 620002
  • B. А. Пичко Rostov State University, Rostov-on-Don 344090

Abstract

The semiempirical MINDO-3, MPDP, and AM-1 methods are shown to be applicable to the calculation of the cyclization of 1-oxa- and 1-azabutadienylketenes. The mechanisms of the heterocyclizations have been studied. Formation of the new σ-bond results from interaction of the unshared electron pair of the heteroatom with the π*x of the ketene C=O bond.

How to Cite
Bakulev, V. A.; Biryucheva, N. Y.; Pichko, V. A. Chem. Heterocycl. Compd. 1997, 33, 99. [Khim. Geterotsikl. Soedin. 1997, 113.]

For this article in the English edition, see DOI https://doi.org/10.1007/BF02290755

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Published

1997-01-25

Issue

No. 1 (1997)

Section

Original Papers