A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Safety of 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 330786-24-8, Name is 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, molecular formula is C17H13N5O. In an article, author is Motamedi, Milad,once mentioned of 330786-24-8.
Experimental/computational assessments of steel in HCl medium containing aminocarbonitrile-incorporated polyhydroxy-functionalized pyrido[2,3-d]pyrimidine as a green corrosion inhibitor
This research deals with insights into the inhibitory effects of a new synthetic bio/green corrosion inhibitor based on aminocarbonitrile-incorporated polyhydroxy-functionalized pyrido[2,3-d]pyrimidine derivative (PPAC) on steel substrate exposed to 1 M HCl cleaning electrolyte. The electrochemical examinations resulted in mixed corrosion inhibition activity having a paramount cathodic hindrance with ca. 91% reduction in corrosion current density (i(corr)) and also 92.5% inhibition efficiency (eta%) achievement after 6 h steel exposing to 0.5 mM PPAC/ HCl solution. A new-route, in-situ multi-step image processing method was successfully created to extract the adsorbed hydrogen bubbles on the electrolyte/steel interface by developing a mathematical exponentiated model. The model based on image-based shape descriptors precisely reproduced the electrochemical data with errors of less than 13%. A low corrosion rate upon PPAC adsorption led to a considerable diminution of bubbles number, T, while their surface area, SA, increased remarkably. The variations of experimental i(corr), data against (T)(-2.09) (SA)(0.65) and also vertical bar Z vertical bar(10mHz) values against (T)(-)(0.)(3) (SA)(-)(0.)(24) showed the best correlative results (R-2 similar to 0.99).Theoretical atomic/electronic simulations relying on DFT, classical MD, and MC proved PPAC planar orientation via the donor-acceptor adsorptive mechanism of its functional groups with the greatest protonation power of C N and C=O in the pyrimidine-fused aminocarbonitrile moiety for strong spontaneous physical/chemical bondings with Fe. (C) 2020 Elsevier B.V. All rights reserved.
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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia