Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 2834-05-1, is researched, SMILESS is O=C(O)CCCCCCCCCCBr, Molecular C11H21BrO2Journal, Journal of Molecular Liquids called Design and synthesis of a novel corrosion inhibitor embedded with quaternary ammonium, amide and amine motifs for protection of carbon steel in 1 M HCl, Author is Chauhan, Dheeraj Singh; Quraishi, Mumtaz A.; Jafar Mazumder, Mohammad A.; Ali, Shaikh A.; Aljeaban, Norah A.; Alharbi, Bader G., the main research direction is quaternary ammonium amide amine motif carbon steel hydrochloric acid.Formula: C11H21BrO2.
Me 11-bromoundecanoate [Br (CH2)10CO2Me] (1) on treatment with tripropylamine gave quaternary salt [Pr3 N+(CH2)10CO2Me]Br- (2) which on treatment with diethylenetriamine afforded [Pr3N+(CH2)10 CONH(CH2)2NH(CH2)2NH2] Br- (3) containing inhibitive motifs of ammonium, amide and amine motifs embedded in a single frame. The precursor salt 2 and its derivative 3 were successfully synthesized in excellent yields and characterized using different spectroscopic techniques. For the first time, a detailed study on the corrosion inhibition behavior of corrosion inhibitors 2 and 3 for mild steel in 1 M HCl was carried out using electrochem. measurements and comprehensive computational anal. Both the studied inhibitors showed excellent aqueous solubility The high inhibition efficiency of 91% and 93% at a concentration of 200 mg L-1 was obtained for corrosion inhibitors 2 and 3, resp. The adsorption of the corrosion inhibitors exhibited the Langmuir isotherm with a mixture of phys. and chem. modes of adsorption. The impedance studies showed a rise in the polarization resistance with increasing concentration of the inhibitors. Polarization measurements demonstrated that the inhibitors displayed a mixed-mode of inhibition with primarily cathodic nature. Surface anal. studies supported the inhibitor adsorption and a protective film formation on the carbon steel surface, which improved the surface smoothness of the steel surface. The DFT based quantum chem. calculations supported the exptl. obtained results and showed that the inhibitor 3 displays superior inhibition in comparison to the inhibitor 2. The Monte Carlo simulations revealed higher adsorption energy for the inhibitor 3 compared to 2.
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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI