Chemistry is an experimental science, SDS of cas: 613-33-2, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 613-33-2, Name is 4,4′-Dimethyldiphenyl, molecular formula is C14H14, belongs to isothiazole compound. In a document, author is Emamian, Saeed Reza.
Theoretical Study of Kinetics and Thermodynamics of Hetero Diels-Alder Reaction of Thiazole and Isothiazol with Thiophene-2,5-dione
DFT methods have been used to study the hetero Diels-Alder reaction of thiazole and isothiazole with thiophen-2,5-dione. The thermodynamic and kinetic parameters were calculated. The relative stabilities of the transition structures corresponding to the endo/exo stereoisomers have been rationalized on the basis of the secondary molecular orbital interactions. NBO analysis was carried out to calculate the synchronicity index. It was shown that all reactions are synchronous. A HOMO-LUMO energy gap shows both reactions are normal electron demand.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 613-33-2. SDS of cas: 613-33-2.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com