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.
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
Titolo: | A DFT Study on the 1,3-Dipolar Cycloaddition Reactions of C-(Hetaryl) Nitrones with Methyl Acrylate and Vinyl Acetate |
Autori interni: | |
Data di pubblicazione: | 2007 |
Rivista: | |
Handle: | http://hdl.handle.net/20.500.11769/5946 |
Appare nelle tipologie: | 1.1 Articolo in rivista |