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 Kafkas Üniversitesi, Türkiye
Doç. Dr. Zafer OCAK Kafkas Üniversitesi, Türkiye
Prof. Dr. Şule Bahçeci Trabzon Üniversitesi, Türkiye
Prof. Dr. Mustafa Calapoğlu Türkiye
Prof. Dr. Mahfuz Elmastaş Türkiye
Prof. Dr. Ali Kolomuç Türkiye
Havva Aksu
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (Q3) | ||
| Dergi ISSN | 1422-0067 Dergi Bilgileri (2008) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 01-2008 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 08-01-2008 |
| Cilt / Sayı / Sayfa | 9 / 1 / 12–32 | DOI | 10.3390/ijms9010012 |
| Makale Linki | http://dx.doi.org/10.3390/ijms9010012 | ||
| UAK Araştırma Alanları |
Polimer Bilimi
Teorik Kimya
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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, (1)H-NMR, (13)C-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 pK(a) values were determined for all cases. Thus, the effects of solvents and molecular structure upon acidity were investigated. In addition, isotropic (1)H and (13)C 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. |
| Anahtar Kelimeler |
| 4,5-dihydro-1H-1,2,4-triazol-5-ones | acylation | density functional calculations | GIAO | antioxidant activity | pK(a) | potentiometric titrations |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 12 |