Synthesis and Theoretical Calculating Properties of 2-(2-Cyanoacetamido)-4,5-Dimethylthiophene-3-Carboxamide (2-CDTC) and its Cyclic Voltammetry Interaction with CuCO3

The synthesis of 2-(2-cyanoacetamido)-4,5-dimethylthiophene-3-carboxamide (2- CDTC) via cyanoacetylation of 2-amino-4,5-dimethylthiophene-3-carboxamide with 3- (3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile in dioxane, the structure confirmed by the spectral data analysis, The cyclic voltammetry of copper carbonate was done in 0.1M KCl in absence and presence of (2-CDTC) at 292.15 K, All the solvation and thermodynamic parameters for interaction of CuCO3 with (2-CDTC) in 0.1 M KCl, like stability constant and Gibbs free energies of solvation were evaluated and their data were discussed, Theoretical calculations for (2-CDTC) were done quantum mechanically by using Gaussian 09 set of calculations in gas phase, ethanol, water and acetone for evaluating the different thermodynamic parameters, Different methods of calculation were proceeded like, Hartree-Fock 6-311G(d,p) and PM3 for estimating the different thermodynamic parameters in water were done and the results discussed, The different types of energies obtained by the two sets of calculations were discussed and supported the experimental part.