Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study DOI Creative Commons
Agnieszka Łapczuk-Krygier, Mar Ríos‐Gutiérrez

Molecules, Год журнала: 2024, Номер 30(1), С. 85 - 85

Опубликована: Дек. 29, 2024

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

Язык: Английский

Design, Synthesis, and Bioactivity Evaluation of Novel Sulfone Derivatives Incorporating an 1,2,4-Triazole Moiety DOI
Jian Liu, Chuan He, B.K.H. Tan

и другие.

Russian Journal of General Chemistry, Год журнала: 2025, Номер 95(3), С. 757 - 763

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0
Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study DOI Creative Commons
Agnieszka Łapczuk-Krygier, Mar Ríos‐Gutiérrez

Molecules, Год журнала: 2024, Номер 30(1), С. 85 - 85

Опубликована: Дек. 29, 2024

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

Язык: Английский

Процитировано

0