Synthesis and DFT Studies of pyrimidin-1(2H)-ylaminofumarate Derivatives
Yazarlar (4)
Prof. Dr. Murat Saracoglu Erciyes Üniversitesi, Türkiye
Zulbiye Kokbudak Erciyes Üniversitesi, Türkiye
M. Izzettin Yilmazer Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of the Chemical Society of Pakistan (Q4) | ||
| Dergi ISSN | 0253-5106 Dergi Bilgileri (2020) | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2020 |
| Cilt / Sayı / Sayfa | 42 / 5 / 746–761 | DOI | – |
| Makale Linki | https://search.ebscohost.com/login.aspx?direct=true&profile=ehost&scope=site&authtype=crawler&jrnl=02535106&AN=146936811&h=HpDBI94rT22OAXgD%2F%2BgSL4NdokUQfmnlgFKnodiEWDUv6gFwjJsSq8fxAN%2F8hw7nFNs5eV7O215UcFqGp4LsiQ%3D%3D&crl=c | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| 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 and13 C-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 … |
| Anahtar Kelimeler |
| DFT | Dimethyl Acetylenedicarboxylate | Pyrimidine Derivatives | Quantum Chemical Calculations | Synthesis |
