Preparation GIAO NMR Calculations and Acidic Properties of Some Novel 4 5 dihydro 1H 1 2 4 triazol 5 one Derivatives with Their Antioxidant Activities
Yazarlar (9)
Prof. Dr. Haydar YÜKSEK Kafkas Üniversitesi, Türkiye
Prof. Dr. Muzaffer ALKAN Kafkas Üniversitesi, Türkiye
Prof. Dr. İsmail Çakmak Sabancı Üniversitesi, Türkiye
Doç. Dr. Zafer OCAK Kafkas Üniversitesi, Türkiye
Prof. Dr. Şule Bahçeci Trabzon Üniversitesi, Türkiye
Prof. Dr. Mustafa Calapoğlu Süleyman Demirel Üniversitesi, Türkiye
Prof. Dr. Mahfuz Elmastaş Sağlık Bilimleri Üniversitesi, Türkiye
Prof. Dr. Ali Kolomuç Türkiye
Havva Aksu
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Int. J. of Mol. Sci (Q3) | ||
| Dergi ISSN | 1422-0067 Dergi Bilgileri (2008) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 11-2008 |
| Cilt / Sayı / Sayfa | – / 9 / 12–32 | DOI | – |
| Makale Linki | https://www.mdpi.com/1422-0067/9/1/12 | ||
| UAK Araştırma Alanları |
Fen Bilgisi Eğitimi
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| Özet |
| Six novel 3-alkyl(aryl)-4-(p-nitrobenzoylamino)-4,5-dihydro-1H-1,2,4-triazol-5- ones (2a-f) were synthesized by the reactions of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H- 1,2,4-triazol-5-ones (1a-f) with p-nitrobenzoyl chloride and characterized by elemental analyses and IR, 1H-NMR, 13C-NMR and UV spectral data. The newly synthesized compounds 2 were titrated potentiometrically with tetrabutylammonium hydroxide in four non-aqueous solvents such as acetone, isopropyl alcohol, tert-butyl alcohol and N,N-dimethylformamide, and the half-neutralization potential values and the corresponding pKa values were determined for all cases. Thus, the effects of solvents and molecular structure upon acidity were investigated. In addition, isotropic 1H and 13C nuclear magnetic shielding constants of compounds 2 were obtained by the gauge-including-atomic-orbital (GIAO) method at the B3LYP density functional level. The geometry of each compound has been optimized using the 6-311G basis set. Theoretical values were compared to the experimental data. Furthermore, these new compounds and five recently reported 3-alkyl-4-(2-furoylamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones (3a–c,e,f) were screened for their antioxidant activities. |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 22 |