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Synthesis and Theoretical Study of the Novel 2 Oxopyrimidin 1 2H yl Amides Derivative   
Yazarlar (6)
Özalp Ayhan
Zülbiye Kökbudak
Saracoğlu Murat
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Ilhan Özer
Can Vurdu
Devamını Göster
Özet
The 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/-thione (1a-b) were synthesized with the reaction of 4-benzoyl-5-phenyl-2, 3-furandione and acetophenonsemicarbazone/-thiosemicarbazone. The study was extended to reactions of the compounds (1a-b) with acide chlorides (2a-d). Thus, some new pyrimidine derivatives (3a-h) were synthesized. The novel 2-oxopyrimidin-1 (2H)-yl-amides derivatives were characterized by elemental analysis, IR, 1H and 13C NMR spectral data. All of them were evaluated according to their previous analogues. In addition to experimental analysis, quantum-mechanical calculations for derivatives of 2-oxopyrimidin-1 (2H)-yl-amides were performed by using B3LYP method with the 6-311G (d, p), 6-311++ G (2d, 2p) basis sets in order to find molecular properties. As a result, both frontier orbital energies for the containing-sulphur molecules were found low while these energies were high for the containingoxygen molecules.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı Chemical Science Review and Letters
Dergi ISSN 2278-6783
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 04-2015
Cilt No 4
Sayı 14
Sayfalar 719 / 728
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Google Scholar 12

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