A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 506-26-3, Name is (6Z,9Z,12Z)-Octadeca-6,9,12-trienoic acid, molecular formula is C18H30O2. In an article, author is Yutilova, Kseniia,once mentioned of 506-26-3, Safety of (6Z,9Z,12Z)-Octadeca-6,9,12-trienoic acid.
A Computational Study of 2-(chloromethyl)oxirane Ring Opening by Bromide and Acetate Anions Considering Electrophilic Activation with Cations of Alkali Metals
Ring opening of 2-(chloromethyl)oxirane via the nucleophilic substitution with bromide and acetate anions was investigated using density functional theory (DFT) calculations. It was shown that the geometry of the transition states and the activation parameters of the reactions correspond to those of S(N)2-like mechanism. The nature of localized transition states was analyzed using More O’Ferrall – Jencks plots. The quantum chemical simulations of the potential energy surface for the ring-opening reaction of oxirane by nucleophiles confirmed the theoretical assumptions about the favored path of interactions, which is a backside alpha-attack of nucleophile. The effect of alkali metal cation (Li+, Na+, K+) on that path was estimated. It was found that the electrophilic activation with alkali metal cation is more pronounced in the reaction of 2-(chloromethyl)oxirane with dissociated ions, than with ionic pairs.
Interested yet? Keep reading other articles of 506-26-3, you can contact me at any time and look forward to more communication. Safety of (6Z,9Z,12Z)-Octadeca-6,9,12-trienoic acid.