Synthesis, crystal and molecular structure of ethyl 2-(4-chlorobenzylidene)-3-oxobutanoate: Studies on antioxidant, antimicrobial activities and molecular docking

Ethyl 2-(4-chlorobenzylidene)-3-oxobutanoate was synthesized by Knoevenagel condensation reaction of 4-chlorobenzaldehyde and ethyl acetoacetate in the presence of catalytic amount of piperidine and trifluoroacetic acid in benzene under reflux conditions. The structure proof of the synthesised molecule was obtained by spectral studies and was confirmed by X-ray diffraction studies. The title compound crystallizes in the monoclinic crystal system under the space group P21/n. The structure adopts a Z conformation about the CC bond. The synthesised compound was evaluated in vitro for its antimicrobial and antioxidant susceptibilities.