Competition between the one-step and two-step, zwitterionic mechanisms in the [2+ 3] cycloaddition of gem-dinitroethene with (Z)-C, N-diphenylnitrone: a DFT …

R Jasiński - Tetrahedron, 2013 - Elsevier
DFT calculations have proven clearly the polar nature of gem-dinitroethene cycloaddition to
(Z)-C, N-diphenylnitrone. The formation of the azolidine ring on both analysed [2+ 3] …

Regioselectivity, stereoselectivity, and molecular mechanism of [3 + 2] cycloaddition reactions between 2-methyl-1-nitroprop-1-ene and (Z)-C-aryl-N …

E Dresler, A Kącka-Zych, M Kwiatkowska… - Journal of Molecular …, 2018 - Springer
Abstract Reaction paths for [3+ 2] cycloaddition (32CA) between 2-methyl-1-nitroprop-1-ene
and (Z)-C-aryl-N-phenylnitrones were explored in detail at the B3LYP/6-31G (d) level of …

Selectivities in the 1, 3-dipolar cycloaddition of nitrile oxides to dicyclopentadiene and its derivatives

INN Namboothiri, N Rastogi, B Ganguly, SM Mobin… - Tetrahedron, 2004 - Elsevier
The 1, 3-dipolar cycloaddition of nitrile oxides, generated from aldoximes and nitroalkanes,
to dicyclopentadiene proceeds with complete chemo-and stereoselectivity. The approach of …

Concerted vs stepwise mechanism in 1, 3-dipolar cycloaddition of nitrone to ethene, cyclobutadiene, and benzocyclobutadiene. A computational study

C Di Valentin, M Freccero, R Gandolfi… - The Journal of Organic …, 2000 - ACS Publications
The problem of competition between concerted and stepwise diradical mechanisms in 1, 3-
dipolar cycloadditions was addressed by studying the reaction between nitrone and ethene …

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

M Ríos-Gutiérrez, A Darù, T Tejero… - Organic & …, 2017 - pubs.rsc.org
The [3+ 2] cycloaddition (32CA) reaction between nitrones and ketenes has been studied
within the Molecular Electron Density Theory (MEDT) at the Density Functional Theory (DFT) …

Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives …

MD Mellaoui, N Acharjee, A Imjjad, J Koubachi… - Theoretical Chemistry …, 2023 - Springer
Abstract The [3+ 2] cycloaddition (32CA) reactions of N-methyl-C-(2-furyl) nitrone with
maleimide derivatives have been studied in gas phase, ethanol and acetonitrile within the …

Regio-and stereoselectivity of the [3+ 2] cycloaddition of nitrones with methyl-acetophenone: A DFT investigation

MO Zouaghi, MY Doggui, Y Arfaoui - Journal of Molecular Graphics and …, 2021 - Elsevier
A theoretical study of the regio-and stereoselectivities of the [3+ 2] cycloaddition reactions of
nitrones with substituted alkene (methyl acetophenone) is investigated using density …

A molecular electron density theory investigation of the molecular mechanism, regioselectivity, stereoselectivity and chemoselectivity of cycloaddition reaction …

A Zeroual, M Ríos-Gutiérrez, M El Ghozlani… - Theoretical Chemistry …, 2020 - Springer
The cycloaddition reactions (32CA) of acetonitrile N-oxide and 2, 5-dimethyl-2H-[1, 2, 3]
diazarsole 1 have been examined employing the molecular electron density theory through …

Stereoselectivity and kinetics of [4 + 2] cycloaddition reaction of cyclopentadiene to para‐substituted E‐2‐arylnitroethenes

R Jasiński, M Kwiatkowska… - Journal of Physical …, 2011 - Wiley Online Library
In spite of diversified electrophilicity of E‐2‐arylnitroethenes, their [4+ 2] cycloaddition
reactions with cyclopentadiene leads to the corresponding 6‐endo‐aryl‐5‐exo …

Application of β-phosphorylated nitroethenes in [3+ 2] cycloaddition reactions involving benzonitrile N-oxide in the light of a DFT computational study

K Zawadzińska, K Kula - Organics, 2021 - mdpi.com
The regiochemistry of [3+ 2] cycloaddition (32CA) processes between benzonitrile N-oxide 1
and β-phosphorylated analogues of nitroethenes 2a–c has been studied using the Density …