Application of 104-66-5, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 104-66-5, Name is 1,2-Diphenoxyethane, SMILES is C1(OCCOC2=CC=CC=C2)=CC=CC=C1, belongs to isothiazole compound. In a article, author is Belen’kii, L. I., introduce new discover of the category.
Quantum-Chemical Investigation of Azoles 1. Alternative Electrophilic Substitution Mechanisms in 1,2-and 1,3-Azoles
Quantum-chemical calculations were performed for the molecular structures of 1,2-azoles (pyrazole, isoxazole, isothiazole), 1,3-azoles (imidazole, oxazole, thiazole), and the corresponding intermediates of electrophilic substitution reactions (with protons as the model electrophiles): azolium ions, bipolar ions (ylides/carbenes), cationic sigma-complexes, as well as activation energy values were calculated for the decomposition of ylides. The calculations were performed for gas phase and aqueous solutions according to the B3LYP method in a 6-31G(d) basis set, with corrections for the zero-point vibration energy. The solvation effects were taken into account by using the overlapping spheres model (IEFPCM). The results of the calculations explained some features of electrophilic substitution in azoles according to two alternative mechanisms: the classical addition-elimination with cationic sigma-complex intermediates, and the mechanism of elimination-addition that involves ylides (carbenes) as key intermediates.
Application of 104-66-5, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 104-66-5.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com