Quantum chemical studies on N-donors based-pyrazole compounds as corrosion inhibitors for steel in acidic media was written by Attayibat, Ahmed;Touzani, Rachid;Radi, Smaail;El Kadiri, Sghir;Sari, Souad;Abdelli, Imene;Ghalem, Said. And the article was included in Asian Journal of Chemistry in 2009.Recommanded Product: 19959-77-4 This article mentions the following:
In this study, some possible relationship between the exptl. inhibition corrosion in acidic media and the theor. energy calculations for four series of compounds containing pyrazoles: (A) the first series of compounds, comprises only one pyrazole ring, (B) the second series has two pyrazoles (bipyrazole), (C) the third one contains one pyrazole and one pyridine (pyridyl pyrazole) and (D) the last series concerns tripodal pyrazoles, has presented. These sets of compounds have been tested for their corrosion inhibition properties of steel in low concentration of hydrochloric acid medium. For these compounds, DFT method studies have been performed. They were based on (EHOMO), (ELUMO) and the difference (ELUMO-EHOMO). The correlation between these two parameters (theor. and exptl.) was shown to be in good agreement for some cases. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Recommanded Product: 19959-77-4).
2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Recommanded Product: 19959-77-4
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics