QUANTUM-CHEMICAL MODELING OF THE REACTION OF 3-PYRIDINECARBALDEHYDE WITH 3-CYANO- 4,5,5-TRIMETHYL-2(5H)-FURANONE

Authors

  • М. Флейшер Latvian Institute of Organic Synthesis, Riga LV-1006
  • Д. Янсоне Latvian Institute of Organic Synthesis, Riga LV-1006
  • Г. Андреева Latvian Institute of Organic Synthesis, Riga LV-1006
  • Л. Лейте Latvian Institute of Organic Synthesis, Riga LV-1006
  • Э. Лукевиц Latvian Institute of Organic Synthesis, Riga LV-1006

Keywords:

3-pyridinecarbaldehyde, 2(5H)-furanone, condensation, semiempirical AM1 method

Abstract

The condensation of pyridinecarbaldehydes with 3-cyano-4,5,5-trimethyl-2(5H)-furanone and 3-cyano-4,6,6-trimethyl-5,6-dihydro-2(2H)-pyranone leads to the formation of the products of crotonic condensation and compounds of the Michael adduct type. A model investigation of the mechanism by the semiempirical AM1 quantum-chemical method for the case of the reaction of 3‑pyridinecarbaldehyde with 3-cyano-4,5,5-trimethyl-2(5H)-furanone showed that the products can be formed in parallel from one and the same intermediate compound.

How to Cite
Fleisher, M.; Jansone, D.; Andreeva, G.; Leite, L.; Lukevics, E. Chem. Heterocycl. Compd. 2001, 37, 688. [Khim. Geterotsikl. Soedin. 2001, 748.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1011905026968

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Published

2001-06-25

Issue

No. 6 (2001)

Section

Original Papers