A Molecular Electron Density Theory Study of the Reactivity and Selectivities in [3 + 2] Cycloaddition Reactions of C,N-Dialkyl Nitrones with Ethylene Derivatives

2018 ◽  
Vol 83 (4) ◽  
pp. 2182-2197 ◽  
Author(s):  
Luis R. Domingo ◽  
Mar Ríos-Gutiérrez ◽  
Patricia Pérez
Keyword(s):  
Electron Density ◽  
Cycloaddition Reactions ◽  
Molecular Electron ◽  
Molecular Electron Density Theory

scholarly journals Understanding the domino reaction between 1-diazopropan-2-one and 1,1-dinitroethylene. A molecular electron density theory study of the [3 + 2] cycloaddition reactions of diazoalkanes with electron-deficient ethylenes

RSC Advances ◽  
2017 ◽  
Vol 7 (25) ◽  
pp. 15586-15595 ◽  
Author(s):  
Luis R. Domingo ◽  
Mar Ríos-Gutiérrez ◽  
Saeedreza Emamian
Keyword(s):  
Electron Density ◽  
Domino Reaction ◽  
Cycloaddition Reactions ◽  
Molecular Electron ◽  
Molecular Electron Density Theory

The domino reaction between 1-diazopropan-2-one and 1,1-dinitroethylene yielding a pyrazole and a gem-dinitrocyclopropane has been studied using molecular electron density theory.

A Molecular Electron Density Theory Study of the Higher–Order Cycloaddition Reactions of Tropone with Electron-rich Ethylene. The Role of the Lewis Acid Catalyst in the Mechanism and Pseudocyclic Selectivity

2021 ◽  
Author(s):  
Luis R. Domingo ◽  
Patricia Perez
Keyword(s):  
Electron Density ◽  
Lewis Acid ◽  
Acid Catalyst ◽  
Higher Order ◽  
Cycloaddition Reactions ◽  
Molecular Electron ◽  
Lewis Acid Catalyst ◽  
Molecular Electron Density Theory

The higher–order cycloaddition reactions of tropone with nucleophilic ethylenes, in the absence and presence of Lewis acid (LA) catalysts, have been studied within Molecular Electron Density Theory (MEDT) at the...

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