Synthesis Determination of pKa Values and GIAO NMR Calculations of Some New 3 alkyl aryl 4 p methoxybenzoylamino 4 5 dihydro 1H 1 2 4 triazol 5 ones
Yazarlar (7)
Prof. Dr. Haydar YÜKSEK Kafkas Üniversitesi, Türkiye
Prof. Dr. Muzaffer ALKAN Kafkas Üniversitesi, Türkiye
Prof. Dr. Şule Bahçeci Trabzon Üniversitesi, Türkiye
Prof. Dr. İsmail Çakmak Sabancı Üniversitesi, Türkiye
Doç. Dr. Zafer OCAK Kafkas Üniversitesi, Türkiye
Dr. Öğr. Üyesi Özlem AKTAŞ YOKUŞ Kafkas Üniversitesi, Türkiye
Elif Aüyel
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2008) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2008 |
| Cilt / Sayı / Sayfa | – / 873 / 142–148 | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286007002463?casa_token=twsSkQLopYUAAAAA:pPk-0pk-L6apmvEQzupomRUJmljrQsoj5NbyjfihrUQO7rX6tR5WB8BEk-vGYTnw16H5EdYsq9o | ||
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Fen Bilgisi Eğitimi
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| Özet |
| 3-Alkyl-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (2) reacted with p-methoxybenzoyl chloride to afford the corresponding 3-alkyl-4-(p-methoxybenzoylamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones (3). Five newly synthesized compounds have been characterized by elemental analyses, IR, 1H NMR, 13C NMR and UV spectral data. The newly synthesized compounds 3 were titrated potentiometrically with tetrabutylammonium hydroxide in four non-aqueous solvents such as acetonitrile, 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 3 were obtained by the gauge-including-atomic-orbital (GIAO) method at the B3LYP … |
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| Google Scholar | 21 |