Shedding light on the energetics, regioselectivity, stereoselectivity, and mechanistic aspects of [3 + 2] cycloaddition reaction between azomethine imines and 2‐sulfolene through molecular electron density theory

2019 ◽  
Vol 33 (4) ◽  
Author(s):  
Sayyed Mohsen Babazadeh ◽  
Saeedreza Emamian
Keyword(s):  
Electron Density ◽  
Cycloaddition Reaction ◽  
Molecular Electron ◽  
Molecular Electron Density Theory ◽  
Azomethine Imines

scholarly journals A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with ketenes

2017 ◽  
Vol 15 (7) ◽  
pp. 1618-1627 ◽  
Author(s):  
Mar Ríos-Gutiérrez ◽  
Andrea Darù ◽  
Tomás Tejero ◽  
Luis R. Domingo ◽  
Pedro Merino
Keyword(s):  
Electron Density ◽  
Cycloaddition Reaction ◽  
Molecular Electron ◽  
One Step ◽  
Molecular Electron Density Theory ◽  
Electrophilic Character

The zw-type 32CA reactions of nitrones with ketenes are controlled by the nucleophilic character of the nitrone and the electrophilic character of the ketene. They are chemo- and regio-selective and the use of electrophilic ketenes changes the mechanism from one-step to two-step.

Molecular Electron Density Theory Study of Fused Regioselectivity in the Intramolecular [3+2] Cycloaddition Reaction of Cyclic Nitrones

2018 ◽  
Vol 3 (19) ◽  
pp. 5412-5420 ◽  
Author(s):  
Luis R. Domingo ◽  
Mar Ríos‐Gutiérrez ◽  
Abel I. Adjieufack ◽  
Ibrahim M. Ndassa ◽  
Cyrille N. Nouhou ◽  
...  
Keyword(s):  
Electron Density ◽  
Cycloaddition Reaction ◽  
Cyclic Nitrones ◽  
Molecular Electron ◽  
Molecular Electron Density Theory
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