A one-pot assembly of Δ2-isoxazolines from ketones, aryl acetylenes and hydroxylamine: Revisiting the mechanism in terms of quantum chemistry

Volume: 1246, Pages: 131185 - 131185
Published: Dec 1, 2021
Abstract
A mechanism of the sequential reaction of ketones with arylacetylenes and hydroxylamine in the presence of KOBut/DMSO followed by the treatment of the reaction mixture with H2O and KOH yielding Δ2-isoxazolines is investigated using a DFT approach by the example of the assembly of (4R,5S)-5-benzyl-4-ethyl-3-methyl-4,5-dihydroisoxazole from pentan-2-one, phenylacetylene and NH2OH·HCl. Activation energies were estimated for successive stages of...
Paper Details
Title
A one-pot assembly of Δ2-isoxazolines from ketones, aryl acetylenes and hydroxylamine: Revisiting the mechanism in terms of quantum chemistry
Published Date
Dec 1, 2021
Volume
1246
Pages
131185 - 131185
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