Organic Chemistry: Current Research
Open Access

Theoretical study on Alcohols: Phenol, p-methylphenol and p-nitrophenol

24^th Global Organic & Inorganic Chemistry Conference

July 18-19, 2018 | Atlanta, USA

Silvana Caglieri, Gustavo Servetti and Macano Hector

Universidad Tecnol�³gica Nacional, Argentina

Posters & Accepted Abstracts: Organic Chem Curr Res

Abstract :

The acetylation of alcohols is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting hydroxyl groups in a multistep synthetic process. Geometric parameters of reactants: phenol, p-methyl phenol,p-nitro phenol were performed in the gas phase using the DFT/B3LYP density functional quantum mechanical method and was adopted the 6-31+G* basis set. Enthalpies of formation were determined using the AM1 method. The table lists the energies, lengths and angles values obtained.