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Relevant academic research and scientific papers

Synthesis, structural characterization, theoretical studies and corrosion inhibition of a new pyrrole derivative:1-(1-benzyl-4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone

A new penta-substitued pyrrole derivative 1-(1-benzyl-4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanonewas synthesized in one pot four-component coupling reaction catalyzed by natural hydroxyapatite (Ca5(PO4)3OH). The structure of the title compound was studied using diverse spectroscopic techniques such as 1H and 13C NMR and FT-IR and confirmedby single-crystal X-ray diffraction. Computation studies using density functional theory (DFT) method at B3LYP/6-311 + G(d,p) in gas phase and polarizable continuum model have been performed to predict the spectral and geometrical data of the compound. Good correlations, higher than 99%, were found between the experimental and predicted spectroscopic data. Furthermore, the closest contacts between active atoms of the compound were obtained through Hirshfeld surface analysis along with the electrostatic potential surfaces (EPS) investigations. The electrochemical study showed a good inhibition efficiency of this compound on the steel S300 surface by blocking the active sites.

Natural Hydroxyapatite: Green Catalyst for the Synthesis of Pyrroles, Inhibitors of Corrosion

Polysubstituted pyrroles have been synthesized in good yields via a four-component one-pot reaction of 1,3-dicarbonyl compounds, amines, aldehydes, and nitroalkanes using natural hydroxyapatite (HAp) as an efficient green catalyst. This strategy provides advantages such as simple experimental and work-up procedures, mild conditions, high selectivity, low cost, high atom economy, and environmental friendliness; it uses a green commercial catalyst and does not require a solvent. The electrochemical behavior of S300 steel in 1 M hydrochloric acidic was studied in the presence of these heterocyclic compounds. The results showed good inhibition efficiency for steel in acidic media.

Iron(III)-catalyzed four-component coupling reaction of 1,3-dicarbonyl compounds, amines, aldehydes, and nitroalkanes: A simple and direct synthesis of functionalized pyrroles

Chemical Equation Represented A simple, convenient, and multicomponent coupling strategy for the synthesis of highly functionalized pyrroles catalyzed by iron(III) salts has been developed. This strategy demonstrated fourcomponent coupling reactions of 1,3-dicarbonyl compounds, amines, aromatic aldehydes, and nitroalkanes without an inert atmosphere. This methodology provides an alternative approach for easy access of highly substituted pyrroles in moderate to very good yields using four simple and readily available building blocks via one-pot tandem reaction. Notably, this method is very cheap, straightforward, and environmentally friendly compared to the existing methods.