Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols
Publication type: Journal Article
Publication date: 2022-06-07
scimago Q3
wos Q2
SJR: 0.341
CiteScore: 4.3
Impact factor: 2.2
ISSN: 10400400, 15729001
Physical and Theoretical Chemistry
Condensed Matter Physics
Abstract
Derivatives of 1,2,4-triazole exhibit antimicrobial, anticonvulsant, anti-inflammatory, immunomodulatory, and other types of activity, which makes it possible to create effective drugs on their basis. Understanding the reaction mechanism for the formation of triazoles helps to control the chemical process and conduct targeted synthesis. Quantum-chemical modeling of the mechanism of interaction of diformylhydrazine with o- and p-aminophenols was carried out using the combined approach CCSD (T)/6–31+G*//B3LYP/6–311++G**. The elementary stages of the reaction, possible intermediate compounds, and transition states have been established. The obtained results have been compared with the data from NMR spectroscopy.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
|
|
|
Drug Development Research
1 publication, 33.33%
|
|
|
Structural Chemistry
1 publication, 33.33%
|
|
|
Russian Chemical Reviews
1 publication, 33.33%
|
|
|
1
|
Publishers
|
1
|
|
|
Wiley
1 publication, 33.33%
|
|
|
Springer Nature
1 publication, 33.33%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 33.33%
|
|
|
1
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
3
Total citations:
3
Citations from 2024:
1
(33.33%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Chirkina E., Larina L. I. Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols // Structural Chemistry. 2022. Vol. 33. No. 6. pp. 2023-2032.
GOST all authors (up to 50)
Copy
Chirkina E., Larina L. I. Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols // Structural Chemistry. 2022. Vol. 33. No. 6. pp. 2023-2032.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1007/s11224-022-01969-1
UR - https://doi.org/10.1007/s11224-022-01969-1
TI - Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols
T2 - Structural Chemistry
AU - Chirkina, Elena
AU - Larina, Lyudmila I.
PY - 2022
DA - 2022/06/07
PB - Springer Nature
SP - 2023-2032
IS - 6
VL - 33
SN - 1040-0400
SN - 1572-9001
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2022_Chirkina,
author = {Elena Chirkina and Lyudmila I. Larina},
title = {Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols},
journal = {Structural Chemistry},
year = {2022},
volume = {33},
publisher = {Springer Nature},
month = {jun},
url = {https://doi.org/10.1007/s11224-022-01969-1},
number = {6},
pages = {2023--2032},
doi = {10.1007/s11224-022-01969-1}
}
Cite this
MLA
Copy
Chirkina, Elena, et al. “Quantum-chemical study of organic reaction mechanisms. XI.*1 Biologically active 4-substituted 1,2,4-triazoles from diformylhydrazine and aminophenols.” Structural Chemistry, vol. 33, no. 6, Jun. 2022, pp. 2023-2032. https://doi.org/10.1007/s11224-022-01969-1.
Profiles