The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Computed Properties of C9H15NO3, 114214-49-2, Name is tert-Butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, SMILES is C(C)(C)(C)OC(=O)N2CC1OC1C2, in an article , author is Taskinen, E, once mentioned of 114214-49-2.
Quantum chemical study of the preferred conformations, molecular geometries, and relative thermodynamic stabilities of 2-substituted 4-methylene-1,3-dioxolanes and 4-methyl-1,3-dioxoles
The preferred conformations, molecular geometries, and relative stabilities of carbon-carbon double-bond exo-endo isomeric 2-substituted 4-methylene-1,3-dioxolanes (a) and 4-methyl-1,3-dioxoles (b) have been studied by DFT calculations at the B3LYP/6-31G* level of theory. The main interest of this work was devoted to the contribution of alkoxy substituents on the relative thermodynamic stabilities of these isomeric unsaturated acetals. Comparison of the computational data with previous experimental findings shows both the enthalpies and entropies of the a b isomerization to be accurately predictable by the DFT calculations. Most importantly, the good agreement between experiment and theory proved also to be applicable to the previously observed unexpectedly large effect of 2-alkoxy substitution on the isomer equilibria.
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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem