An ab initio study of the reaction mechanism of 2-methylbenzaldehyde acetalization with methanol

Acetalization of 2-methylbenzaldehyde is a type reaction that occur by reacting with methanol. Meanwhile, the catalyst used in an acid catalyst. This research was conducted to determine pathway intermediate mechanism most likely produce acetal product. The software this HyperChem 8.0, 6-31G* basis sets, ab initio method. Before being calculated, molecular structure drawn 2-dimensional view. After that, converted into 3D view and geometry optimization carried out. results obtained are form optimized energy from reactant 2-methylbenzaldehyde, several products, product acetal.