Chemistry, like all the natural sciences, Product Details of 123-06-8, begins with the direct observation of nature¡ª in this case, of matter.123-06-8, Name is Ethoxymethylenemalononitrile, SMILES is N#C/C(C#N)=C/OCC, belongs to nitriles-buliding-blocks compound. In a document, author is Yamamoto, Yoshihiko, introduce the new discover.
Theoretical Study of the Mechanism of Palladium(0)-Catalyzed Intramolecular [2+2+2] Cycloaddition of Ester-Substituted Alkynes
The mechanisms of the palladium(0)-catalyzed cross [2+2+2] cycloaddition of a diyne diester with dimethyl acetylenedicarboxylate and of the [2+2+2] cyclization of a triyne diester were investigated using density functional theory calculations. After evaluating the kinetic and thermodynamic profiles of each reaction, the roles of the ester substituents on the alkyne substrates and of the triphenylphosphine ligand are discussed based on the obtained results. Moreover, the previously unreported cross [2+2+2] cycloaddition of the diyne diester with nitriles was also investigated, in order to evaluate its feasibility under the relevant experimental conditions.
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 123-06-8. Product Details of 123-06-8.