Quantum chemical and experimental studies on the mechanism of alkylation of beta-dicarbonyl compounds. The synthesis of five and six membered heterocyclic spiro derivatives

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Sadikov N., Nasibov A., Ogretir C., Berber H., Huseyinli A.

MOLECULES, vol.9, no.11, pp.922-938, 2004 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 9 Issue: 11
  • Publication Date: 2004
  • Doi Number: 10.3390/91100922
  • Journal Name: MOLECULES
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.922-938
  • Keywords: alkylation of beta-dicarbonyl compounds, spiro derivatives of barbituric acid, 2-chloro-1-(2-chloroethoxy)ethane, theoretical studies
  • Anadolu University Affiliated: No


The alkylation of beta-dicarbonyl compounds in a K2CO3/DMSO system was found to afford O- and C-alkylated derivatives, depending on the type of the P-dicarbonyl compound involved. The alkyl derivatives obtained were used in the synthesis of some new spiro barbituric acid derivatives. Quantum chemical calculations were carried out to elucidate the reaction mechanisms for some typical synthesis.