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

LR Domingo, M Ríos-Gutiérrez… - The Journal of Organic …, 2018 - ACS Publications
The zw-type [3+ 2] cycloaddition (32CA) reactions of C, N-dialkyl nitrones with a series of
ethylenes of increased electrophilic character have been studied within the Molecular …

New mechanistic interpretations for nitrone reactivity

P Merino, T Tejero, I Delso, R Matute - Organic & Biomolecular …, 2017 - pubs.rsc.org
The reactivity of nitrones in cycloadditions and related reactions is revisited by introducing a
topological perspective. In particular, the study of electron localization function (ELF) along a …

A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxides

R Jasiński, E Jasińska, E Dresler - Journal of molecular modeling, 2017 - Springer
DFT calculations were performed to shed light on the molecular mechanism of [3+ 2]
cycloadditions of simple conjugated nitroalkenes to benzonitrile N-oxides. In particular, it …

ortho‐Alkylation of Pyridine N‐Oxides with Alkynes by Photocatalysis: Pyridine N‐Oxide as a Redox Auxiliary

JP Markham, B Wang, ED Stevens… - … A European Journal, 2019 - Wiley Online Library
A photocatalyzed ortho‐alkylation of pyridine N‐oxide with ynamides and arylacetylenes
has been developed, which yields a series of α‐(2‐pyridinyl) benzyl amides/ketones …

Visible-light-mediated anti-regioselective nitrone 1, 3-dipolar cycloaddition reaction and synthesis of bisindolylmethanes

L Zheng, F Gao, C Yang, GL Gao, Y Zhao, Y Gao… - Organic …, 2017 - ACS Publications
The development of photoredox reactions of 1, 3-dipolar cycloaddition of nitrones with
alkenes is reported. It offers an efficient synthetic method to obtain isoxazolidine derivatives …

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) …

Metal‐Free meta‐Selective Alkyne Oxyarylation with Pyridine N‐Oxides: Rapid Assembly of Metyrapone Analogues

X Chen, SA Ruider, RW Hartmann… - Angewandte Chemie …, 2016 - Wiley Online Library
An efficient metal‐free oxyarylation of electron‐poor alkynes with pyridine N‐oxides has
been developed. This transformation affords meta‐substituted pyridines analogous to the …

Revisiting oxime–nitrone tautomerism. Evidence of nitrone tautomer participation in oxime nucleophilic addition reactions

D Roca-López, A Daru, T Tejero, P Merino - Rsc Advances, 2016 - pubs.rsc.org
The oxime–nitrone tautomerism has been revisited using high-level DFT calculations. The
isomerization has been found to be more favorable through a bimolecular process involving …

Gold‐Catalyzed [3+2]/Retro‐[3+2]/[3+2] Cycloaddition Cascade Reaction of N‐Alkoxyazomethine Ylides

S Sugita, N Takeda, N Tohnai, M Miyata… - Angewandte Chemie …, 2017 - Wiley Online Library
A novel cascade reaction has been developed for the synthesis of 2, 6‐methanopyrrolo [1, 2‐
b] isoxazoles based on the gold‐catalyzed generation of an N‐allyloxyazomethine ylide …

1, 2, 4-Oxadiazole-5-ones as analogues of tamoxifen: Synthesis and biological evaluation

MA Chiacchio, L Legnani, A Campisi, B Paola… - Organic & …, 2019 - pubs.rsc.org
A series of 2, 3, 4-triaryl-substituted 1, 2, 4-oxadiazole-5-ones have been prepared as fixed-
ring analogues of tamoxifen (TAM), a drug inhibitor of Estradiol Receptor (ER) used in breast …