Abstract
Some novel compounds of bis/mono 1-aryl-1H-tetrazole-5-carboxylic acid are synthesized by the hydrolysis of two different synthesized esters, they are ethyl-1-aryl-1H-tetrazole-5-carboxylate and ethyloxo(1-aryl-1H-tetrazol-5-yl)acetate. The ethyl-1-aryl-1H-tetrazole-5-carboxylate is resistant to get hydrolyzed, whereas the ethyloxo(1-aryl-1H-tetrazol-5-yl) acetate undergoes hydrolysis process and converts the ester to title compound. All the synthesized compounds are characterized by IR, 1H and 13C NMR, mass and elemental analysis.The ethyl-1-aryl-1H-tetrazole-5-carboxylateis optimized by DFT B3LYP method and the HOMO and LUMO energy is 5.14 eV and also there is a formation of a weak bond between O18 and C8 as observed from the AIM analysis result.
GRAPHICAL ABSTRACT
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