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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 (2)
İsmail Yıldırım
Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kocaeli Üniversitesi, Türkiye
Devamını Göster
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