Generality and diversity on the kinetics, toxicity and DFT studies of sulfate radical-induced transformation of BPA and its analogues was written by Wang, Jingquan;Zheng, Min;Deng, Yang;Liu, Min;Chen, Ying;Gao, Naiyun;Du, Erdeng;Chu, Wenhai;Guo, Hongguang. And the article was included in Water Research in 2022.Synthetic Route of C13H12O2 The following contents are mentioned in the article:
The international campaign to ban bisphenol A (BPA) has resulted in increasing application of BPA substitutes. However, investigations have mainly been confined to the removal of single contaminant from the water, resulting in an inefficient burden. Furthermore, systematic study and synthetical discussion of bisphenol analogs (BPs) kinetics and transformation pathways were largely underemphasized. Chem. oxidation of BPA and four typical alternatives (i.e., bisphenol AF, bisphenol E, bisphenol F and bisphenol S) in a UV-activated persulfate system was examined in this study. The effects of persulfate (PS) dosage, pH and water matrix constituents (i.e., bicarbonate, chloride and natural organic matter) were comprehensively examined using a combination of laboratory experiments and math. modeling. According to our findings, the removal characteristics of different BPs employing SO4·--induced removal technol., including degradation mechanisms and influencing trends by water matrix, revealed similarly. The second order-rate constants of SO4·- reacting with BPs served as the main variables mediating the variation in degradation kinetics. Frontier MO theory and d. functional theory suggested BPs mols. possessed the same susceptible positions to free radicals. In the UV-activated PS process, transformation pathways included hydroxylation, electron-transfer, substitution, and rearrangement triggered by ortho-cleavage, with certain intermediates exhibiting higher toxicity than the parent chems. The findings of this study provided valuable information to estimate potential environmental risks of using BPA alternatives. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8Synthetic Route of C13H12O2).
4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Synthetic Route of C13H12O2
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts