Yazarlar |
Önal Zülbiye
|
Yildirim Ismail
|
Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye |
Taner Arslan
|
Özet |
The reaction of 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidin-2(1H)-one/-thione (1a,b) with ethyl acetoacetate (EA) afforded moderate to good yields (59-63%) of ethyl 2-methyl-4-(4-methylbenzoyl)-5-(4-methylphenyl)-7-oxo/-thioxo-3,3a-dihydropyrazolo[1,5-c]pyrimidine-3-carboxylate (2a,b). The newly synthesized compounds were characterized by elemental analyses, IR, 1H and 13C NMR spectral data. All were compared with their previous analogues. The reaction mechanism of 1 with EA was studied by means of the B3LYP/6-31G(d,p) method. In addition, for reactants Fukui functions were performed using the data calculated with the Becke3-Lee-Yang-Parr (B3LYP) hybrid function. © Springer Science+Business Media, LLC 2010. |
Anahtar Kelimeler |
1-Aminopyrimidin-2-one/-thione | Condensation | Ketocarbonyl versus estercarbonyl of β-Ketoester | MO calculations | Pyrazolopyrimidine | Recyclization |
Makale Türü | Özgün Makale |
Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
Dergi Adı | Structural Chemistry |
Dergi ISSN | 1040-0400 |
Dergi Tarandığı Indeksler | SCI-Expanded |
Makale Dili | İngilizce |
Basım Tarihi | 08-2010 |
Cilt No | 21 |
Sayı | 4 |
Sayfalar | 809 / 816 |
Doi Numarası | 10.1007/s11224-010-9615-9 |
Makale Linki | http://link.springer.com/10.1007/s11224-010-9615-9 |