Recently I am researching about ORGANIC AEROSOL FORMATION; GAS-PHASE OZONOLYSIS; KINETICS; OXIDATION; 2-METHOXYPHENOL; ATMOSPHERE; COMPOUND; PRODUCTS; RADICALS; PRIORITY, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51801108]; China Postdoctoral Science FoundationChina Postdoctoral Science Foundation [2016 M592138, 2017 M610409]; Qingdao Postdoctoral Applied Research Project [2016018]; Taishan Scholars Advantageous and Distinctive Discipline Program; Taishan Scholar Program of Shandong Province; Key Research and Development Program of Shandong Province [2019GGX103048]; Open Fund of the Guangdong Provincial Key Laboratory of Advanced Energy Storage Materials [2017B030314010]. Published in ELSEVIER SCIENCE SA in LAUSANNE ,Authors: Cao, HJ; Wang, KK; Yang, ZQ; Wu, SJ; Han, DD. The CAS is 150-76-5. Through research, I have a further understanding and discovery of Mequinol. SDS of cas: 150-76-5
Quantum chemical calculations with the M06-2X method were performed to uncover the ozonolysis mechanism of guaiacol and several hydroxylated, methoxylated, and methylated phenols to improve the understanding of the ozone-induced attenuation of phenolic compounds. The detailed kinetic properties were obtained by the transition state theory (TST) and the Rice – Ramsperger – Kassel – Marcus (RRKM) theory. Results confirm that the primary ozonides originated from guaiacol occupy considerably long retention time than the short-lived primary ozonides formed from vinyl-type compounds in the air. The TST rate constant of guaiacol ozonolysis is calculated with a value of 8.81 x 10-20 cm3 molecule-1 s-1 at room temperature. The RRKM results prove that the rate constant is positively dependent on temperature but shows no relation with pressure. The reactivity of substituted phenols exhibits a strong correlation with the ozone affinity of carbon atoms and the orbital energy difference (ELo-Hac) between the lowest unoccupied molecular orbital of O3 and the highest occupied molecular orbital of phenols. The substituents can reduce the value of ELo-Hac and improve the phenols’ reactivity, especially when they locate at the ortho- and para-position. The substituents also improve the ozone affinity of carbon atoms due to the electron-withdrawing effect. The methyl group delivers a moderate impact on the reactivity compared to hydroxyl and methoxy groups.
SDS of cas: 150-76-5. About Mequinol, If you have any questions, you can contact Cao, HJ; Wang, KK; Yang, ZQ; Wu, SJ; Han, DD or concate me.
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles