Multicomponent Synthesis of Uracil Analogues Promoted by Pd-Catalyzed Carbonylation of α-Chloroketones in the Presence of Isocyanates and Amines

J Org Chem. 2015 Aug 21;80(16):8189-97. doi: 10.1021/acs.joc.5b01270. Epub 2015 Aug 3.

Abstract

A short and efficient one-pot synthesis of uracil derivatives with a high structural variability is described. The process is a multicomponent reaction based on a palladium-catalyzed carbonylation of α-chloroketones in the presence of primary amines and isocyanates. In most cases, when the formation of unsymmetrical N,N'-disubstituted uracil derivatives can occur, the methodology demonstrates to be highly regioselective. A mechanistic hypothesis involving β-dicarbonyl palladium intermediates and urea derivatives, generated in situ, has been discussed.

MeSH terms

  • Amines / chemistry*
  • Catalysis
  • Isocyanates / chemistry*
  • Levulinic Acids / chemistry*
  • Molecular Structure
  • Palladium / chemistry*
  • Uracil / chemical synthesis*
  • Uracil / chemistry

Substances

  • Amines
  • Isocyanates
  • Levulinic Acids
  • Uracil
  • Palladium
  • 2-amino-4-oxo-5-chloropentanoate