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Isomeric Isoxazolopyridinones: Synthesis, Tautomerism and Molecular Orbital Calculation.
Published:
01 November 1999
by MDPI
in The 3rd International Electronic Conference on Synthetic Organic Chemistry
session General Organic Synthesis
Abstract: Depending on the substituent at C-4 (OH or MeNH) 3-acyl-5,6-dihydropyridinones 1 and 2 react with hydroxylamine to give either isoxazolo[5,4-c]pyridinone 3 and isoxazolo[4,3-c]pyridinone 4, respectively. The tautomeric equilibria of 1 and 2 are investigated by means of NMR spectroscopy and density functional calculations. The mechanisms of formation of 3 and 4 are interpreted with the aid of semiempirical molecular orbital calculations.
Keywords: n/a
