Reactions of thiiranes with NH-heterocycles: III. The synthesis of N2/N4-mono- and N2/N4-dithietane-containing 5-bromo-2,4-dihydro-1,2,4-triazol-3-ones and their antidepressant activity

Klen, Elena E.; Nikitina, Irina L.; Khaliullin, Ferkat A.; Rozit, Galina A.; Nikitina, Ekaterina A.; Gaisina, Gul’nara G.; Samorodov, Aleksandr V.; Pavlov, Valentin N.

doi:10.1007/s10593-024-03347-7

Chem Heterocycl Comp

2024

DOI: 10.1007/s10593-024-03347-7

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Reactions of thiiranes with NH-heterocycles: III. The synthesis of N2/N4-mono- and N2/N4-dithietane-containing 5-bromo-2,4-dihydro-1,2,4-triazol-3-ones and their antidepressant activity

Elena E. Klen,

Irina L. Nikitina,

Ferkat A. Khaliullin

et al.

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Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study

Łapczuk,

Ríos-Gutiérrez

2024

Molecules

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In this study, we investigated the [3+2] cycloaddition reaction of CF3CN (TFAN) with nitrilimine (NI) to produce 1,2,4-triazole and compared the resulting isomers. We determined the preferred reaction pathway by examining the electrophilic and nucleophilic properties of the reaction substrates, performing thermodynamic calculations for the individual pathways, and comparing them with the experimental results.

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Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study

Łapczuk,

Ríos-Gutiérrez

2024

Molecules

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show abstract

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Reactions of thiiranes with NH-heterocycles: III. The synthesis of N2/N4-mono- and N2/N4-dithietane-containing 5-bromo-2,4-dihydro-1,2,4-triazol-3-ones and their antidepressant activity

Cited by 1 publication

References 16 publications

Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study

Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study

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