Application of 67217-55-4, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 67217-55-4, Name is Mono-(6-p-toluenesulfonyl)-¦Â-cyclodextrin, SMILES is O=S(OC[C@@H]1[C@@]([C@@H]([C@H]([C@]([H])(O1)O[C@@]23[H])O)O)([H])O[C@]4([H])[C@H](O)[C@H]([C@@]([H])([C@H](O4)CO)O[C@]5([H])[C@H](O)[C@H]([C@@]([H])([C@H](O5)CO)O[C@]6([H])[C@H](O)[C@H]([C@@]([H])([C@H](O6)CO)O[C@@]([H])(O[C@@H]([C@]7(O[C@@]([H])(O[C@@H]([C@]8(O[C@]([H])([C@@H]([C@H]2O)O)O[C@@H]3CO)[H])CO)[C@@H]([C@H]8O)O)[H])CO)[C@@H]([C@H]7O)O)O)O)O)(C9=CC=C(C=C9)C)=O, belongs to dioxoles compound. In a article, author is Kuwata, KT, introduce new discover of the category.
Quantum chemical and master equation studies of the methyl vinyl carbonyl oxides formed in isoprene ozonolysis
Methyl vinyl carbonyl oxide is an important intermediate in the reaction of isoprene and ozone and may be responsible for most of the (OH)-O-center dot formed in isoprene ozonolysis. We use CBS-QB3 calculations and RRKM/ master equation simulations to characterize all the pathways leading to the formation of this species, all the interconversions among its four possible conformers, and all of its irreversible isomerizations. Our calculations, like previous studies, predict (OH)-O-center dot yields consistent with experiment if thermalized syn-methyl carbonyl oxides form (OH)-O-center dot quantitatively. Natural bond order analysis reveals that the vinyl group weakens the C=O bond of the carbonyl oxide, making rotation about this bond accessible to this chemically activated intermediate. The vinyl group also allows one conformer of the carbonyl oxide to undergo electrocyclization to form a dioxole, a species not previously considered in the literature. Dioxole formation, which has a CBS-QB3 reaction barrier of 13.9 kcal/mol, is predicted to be favored over vinyl hydroperoxide formation, dioxirane formation, and collisional stabilization. Our calculations also predict that two dioxole derivatives, 1.2-epoxy-3-butanone and 3-oxobutanal, should be major products of isoprene ozonolysis.
Application of 67217-55-4, 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 67217-55-4.
Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem