Experimental and quantum chemical calculations on some 1H pyrazole 3 carboxamide and 3 carboxylate derivatives formation
Yazarlar (3)
İsmail Yıldırım Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
Yunus Akçamur Erciyes Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2005 |
| Cilt / Sayı / Sayfa | 738 / 1 / 275–279 | DOI | 10.1016/j.molstruc.2004.12.026 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286004010154 | ||
| Özet |
| The 1H-pyrazole-3-carboxylic acid was converted via reactions of its acid chloride 1 with various binucleophiles like 1,2-diaminoethane (2a), 1,2-diaminopropane (2b) and 2-amino-2-methylpropanol (2c) into the corresponding 1H-pyrazole-3-carboxamides and -3-carboxylate 3a–c, respectively, in good yields (66–95%). The reactions of 1 with aliphatic diamines and amino alcohols (2a–c) in benzene for 5–6h with catalytic amounts of pyridine lead to the products 3a–c formation. The structures of these new synthesized compounds were determined from the 13C NMR, 1H NMR, IR spectroscopic data and elemental analyses. All of them were compared with their previous analogs. The mechanism of reaction between 1 and 2a–c was studied by means of semi-empirical AM1 calculations. |
| Anahtar Kelimeler |
| Furan-2,3-dione | IR, NMR spectra | MO calculations | Nucleophilic substitution | Pyrazole-3-carboxylic acid |
Science Direct
Experimental and quantum chemical calculations on some 1H pyrazole 3 carboxamide and 3 carboxylate derivatives formation
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| Web of Science | 14 |
| Google Scholar | 8 |