İ. Yıldırım, F. Kandemirli, Y. Akçamur
Mar 14, 2005
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12
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Journal
Journal of Molecular Structure
Abstract
Abstract The 1 H -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 1 H -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 5–6 h with catalytic amounts of pyridine lead to the products 3a – c formation. The structures of these new synthesized compounds were determined from the 13 C NMR, 1 H 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.