CuO-Catalyzed Synthesis, Characterization, and Computational Studies of Ethyl 2-Cyano-3-(1<i>H</i>-indol-3-yl)-3-phenylpropanoate Derivatives

AbstractA one-pot multicomponent method employing substituted indole, ethyl cyanoacetate and aromatic aldehyde was found as an effective catalytic procedure for the synthesis of a novel indole derivatives. The potential of CuO nanoparticles as nanocatalysts for the Knoevenagel condensation and the synthesis of new indole derivatives was investigated. X-Ray diffraction was used to measure the size of the CuO nanoparticles. CuO nanoparticles can be recycled and used again after the reaction course. The ADMET analysis and drug-likeness results indicated that indole derivatives satisfied Lipinski's principles and drug-likeness requirements. The reactivity indices and potential areas obtained from the FMO experiments were successfully used to a range of molecular systems because they yield valuable information. Here, we determined the oxobutanoate derivative's critical areas and likely reactivity directions. The resultant indole derivatives were subjected to various analytical techniques, including mass spectroscopy, 1H and 13C NMR spectroscopy, FT-IR and mass spectrometry.