Title of article
A DFT study on the 1,3-dipolar cycloaddition reactions of C-(hetaryl) nitrones with methyl acrylate and vinyl acetate
Author/Authors
Pedro Merino، نويسنده , , Tomas Tejero، نويسنده , , Ugo Chiacchio، نويسنده , , Giovanni Romeo، نويسنده , , Antonio Rescifina، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2007
Pages
11
From page
1448
To page
1458
Abstract
The 1,3-dipolar cycloaddition of C-(hetaryl) nitrones with electron-poor and electron-rich alkenes is rationalized. The energetics of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31-G(d) theory level. By studying different reaction channels and reagent conformations the regio- and stereochemical preferences of the reaction are discussed.
Journal title
Tetrahedron
Serial Year
2007
Journal title
Tetrahedron
Record number
1090243
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