Recommanded Product: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Efficient factors on the hydrolysis reaction rate of some para-aminophenol derivatives in acidic pHs. Author is Beiginejad, Hadi; Nematollahi, Davood; Varmaghani, Fahimeh; Bayat, Mehdi.
Electrochem. oxidation of some p-aminophenol derivatives (1-5) in acidic solutions was studied both exptl. and theor. to provide insight into the influence of some factors on the hydrolysis reaction rate. The result of this work shows that the electrogenerated p-quinoneimines participate in the hydrolysis reaction and are converted to the p-benzoquinone. The hydrolysis reaction rate strongly depends on the structure of the p-aminophenols and solution’s pH. The observed homogeneous rate constants of hydrolysis (kobshyd) of p-quinoneimines were determined using digital simulation technique. The effect of different parameters such as: change of Gibbs free energy (ΔG) of the electrochem. oxidation of para-aminophenol derivatives (1-5), charge of reaction site, N-C4 bond order (Wiberg Bond Indexes, WBIs) and the nature of substituted group, on the hydrolysis rate constant were also studied. All calculations were performed using D. Functional Theory (DFT) both BP86 and B3LYP levels of theory and 6-311G (p,d) basis set. The N-C4 bond order and charge on the reaction site play significant roles in hydrolysis reaction’s rate.
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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem