Synthesis of Novel 1,2,4-Triazole Derivatives of N-Benzyl-5-nitroisatin: Anticancer Activity, Anti-oxidant Activity, and Molecular Design

Rasheed, Hala Ayad Mohamed; Al-Majidi, Suaad M. H.

doi:10.1080/00304948.2024.2365517

Organic Preparations and Procedures International

2024

DOI: 10.1080/00304948.2024.2365517

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Synthesis of Novel 1,2,4-Triazole Derivatives of N-Benzyl-5-nitroisatin: Anticancer Activity, Anti-oxidant Activity, and Molecular Design

Hala Ayad Mohamed Rasheed,

Suaad M. H. Al-Majidi

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2024

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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

View full text Add to dashboard Cite

show abstract

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Synthesis of Novel 1,2,4-Triazole Derivatives of N-Benzyl-5-nitroisatin: Anticancer Activity, Anti-oxidant Activity, and Molecular Design

Cited by 1 publication

References 23 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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