| Yazarlar |
Murat Saracoglu
Erciyes Üniversitesi, Turkey |
|
Zulbiye Kokbudak
Erciyes Üniversitesi, Turkey |
|
M. Izzettin Yilmazer
Erciyes Üniversitesi, Turkey |
|
Fatma Kandemirli
Kastamonu University, Turkey |
| Özet |
| Pyrimidine derivatives have biological and pharmacological properties. Therefore, in this study we focused on the synthesis various Pyrimidine derivatives to make noteworthy contributions this class of heterocyclic compounds. In the present study, the new compounds (4-6) were obtained by the reactions of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H)-one (1), 1-amino-5- (4-methylbenzoyl)-4-(4-methylphenyl)pyrimidin-2(1H)-one (2) and 1-amino-5-(4-methoxybenzoyl)- 4-(4-methoxyphenyl)pyrimidin-2(1H)-one (3) with dimethyl acetylenedicarboxylate. The structures of these compounds were proved by elemental analysis, FT-IR, 1H and 13C-NMR spectra. In addition to, quantum chemical calculations were made to find molecular properties of the pyrimidin-1(2H)- ylaminofumarate derivatives (4-6) by using DFT/B3LYP method with 6-311++G(2d,2p) basis set. Quantum chemical features such as EHOMO, ELUMO, energy gap, ionization potential, chemical hardness, chemical softness, electronegativity etc. values for gas and solvent phase of neutral molecules were calculated and discussed. |
| Anahtar Kelimeler |
| DFT | Dimethyl Acetylenedicarboxylate | Pyrimidine Derivatives | Quantum Chemical Calculations | Synthesis |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of the Chemical Society of Pakistan |
| Dergi ISSN | 0253-5106 |
| Makale Dili | İngilizce |
| Basım Tarihi | 10-2020 |
| Cilt No | 42 |
| Sayı | 5 |
| Sayfalar | 746 / 761 |
