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Experimental and theoretical studies on the functionalization reactions of 4 benzoyl 1 5 diphenyl 1H pyrazole 3 carboxylic acid and acid chloride with various aminophenols   
Yazarlar
İsmail Yıldırım
Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma KANDEMİRLİ
Kocaeli Üniversitesi, Türkiye
Özet
The 1H-pyrazole-3-carboxylic acid 1 was converted via reactions of its acid chloride 2 with various aminophenol derivatives 3a - d into the corresponding N-(hydroxyphenyl)-1H-pyrazole-3-carboxamides 4a - d, respectively, in good yields (34-53%). The reactions of 1 or 2 with 3 in benzene or toluene for 5-7 h with no catalytic amounts of base lead to the formation of the products 4. The structures of all new synthesized compounds were established by the 13 C NMR, 1 H NMR, IR, masss spectroscopic data and elemental analyses. The reaction mechanism of 2 with 3 was studied by means of the RHF/3-21G and RHF/6-31G method. © Springer Science+Business Media, Inc. 2006.
Anahtar Kelimeler
IR and NMR spectra | MO calculations | NH group versus OH group of aminophenol 2 | Nitrogen heterocycles | Pyrazole-3-carboxylic acid
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 04-2006
Cilt No 17
Sayı 2
Sayfalar 241 / 247
Doi Numarası 10.1007/s11224-006-9052-y
Makale Linki http://link.springer.com/10.1007/s11224-006-9052-y