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volume 23 issue 23 pages 14522

Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism

Publication typeJournal Article
Publication date2022-11-22
scimago Q1
wos Q1
SJR1.273
CiteScore9.0
Impact factor4.9
ISSN16616596, 14220067
Catalysis
Organic Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Computer Science Applications
Spectroscopy
Molecular Biology
General Medicine
Abstract

A detailed study of the reaction of CF3-ynones with NaN3 was performed. It was found that the reaction permits the selective synthesis of either 4-trifluoroacetyltriazoles or 5-CF3-isoxazoles. The chemoselectivity of the reaction was switchable via acid catalysis. The reaction of CF3-ynones with NaN3 in EtOH produced high yields of 4-trifluoroacetyltriazoles. In contrast, the formation of 5-CF3-isoxazoles was observed under catalysis by acids. This acid-switchable procedure can be performed at sub-gram scale. The possible reaction mechanism was supported by DFT calculations. The synthetic utility of the prepared 4-trifluoroacetyltriazoles was demonstrated.

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Muzalevskiy V. M. et al. Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism // International Journal of Molecular Sciences. 2022. Vol. 23. No. 23. p. 14522.
GOST all authors (up to 50) Copy
Muzalevskiy V. M., Sizova Z. A., Nechaev M. S., Nenajdenko V. G. Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism // International Journal of Molecular Sciences. 2022. Vol. 23. No. 23. p. 14522.
RIS |
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RIS Copy
TY - JOUR
DO - 10.3390/ijms232314522
UR - https://doi.org/10.3390/ijms232314522
TI - Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism
T2 - International Journal of Molecular Sciences
AU - Muzalevskiy, Vasiliy M
AU - Sizova, Zoia A
AU - Nechaev, Mikhail. S.
AU - Nenajdenko, Valentine G.
PY - 2022
DA - 2022/11/22
PB - MDPI
SP - 14522
IS - 23
VL - 23
PMID - 36498860
SN - 1661-6596
SN - 1422-0067
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2022_Muzalevskiy,
author = {Vasiliy M Muzalevskiy and Zoia A Sizova and Mikhail. S. Nechaev and Valentine G. Nenajdenko},
title = {Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism},
journal = {International Journal of Molecular Sciences},
year = {2022},
volume = {23},
publisher = {MDPI},
month = {nov},
url = {https://doi.org/10.3390/ijms232314522},
number = {23},
pages = {14522},
doi = {10.3390/ijms232314522}
}
MLA
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MLA Copy
Muzalevskiy, Vasiliy M., et al. “Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism.” International Journal of Molecular Sciences, vol. 23, no. 23, Nov. 2022, p. 14522. https://doi.org/10.3390/ijms232314522.