Microwave Assisted Synthesis, Antifungal Activity, and DFT Study of Some Novel Triazolinone Derivatives
Joint Authors
Sun, Na-Bo
Jin, Jian-Zhong
He, Fang-Yue
Source
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-03-12
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
A series of some novel 1,2,4-triazol-5(4H)-one derivatives were designed and synthesized under microwave irradiation via multistep reaction.
The structures of 1,2,4-triazoles were confirmed by 1H NMR, MS, FTIR, and elemental analysis.
The antifungal activities of 1,2,4-triazoles were determined.
The antifungal activity results indicated that the compounds 5c, 5f, and 5h exhibited good activity against Pythium ultimum, and the compounds 5b and 5c displayed good activity against Corynespora cassiicola.
Theoretical calculation of the compound 5c was carried out with B3LYP/6-31G (d).
The full geometry optimization was carried out using 6-31G(d) basis set, and the frontier orbital energy and electrostatic potential were discussed, and the structure-activity relationship was also studied.
American Psychological Association (APA)
Sun, Na-Bo& Jin, Jian-Zhong& He, Fang-Yue. 2015. Microwave Assisted Synthesis, Antifungal Activity, and DFT Study of Some Novel Triazolinone Derivatives. BioMed Research International،Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1057223
Modern Language Association (MLA)
Sun, Na-Bo…[et al.]. Microwave Assisted Synthesis, Antifungal Activity, and DFT Study of Some Novel Triazolinone Derivatives. BioMed Research International No. 2015 (2015), pp.1-7.
https://search.emarefa.net/detail/BIM-1057223
American Medical Association (AMA)
Sun, Na-Bo& Jin, Jian-Zhong& He, Fang-Yue. Microwave Assisted Synthesis, Antifungal Activity, and DFT Study of Some Novel Triazolinone Derivatives. BioMed Research International. 2015. Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1057223
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1057223