Author(s): Milhazes, Nuno ; Martins, Pedro ; Uriarte, Eugenio ; Garrido, Jorge ; Calheiros, Rita ; Marques, M. Paula M. ; Borges, Fernanda
Date: 2007
Persistent ID: https://hdl.handle.net/10316/3859
Origin: Estudo Geral - Universidade de Coimbra
Subject(s): 3,4-Methylenedioxymethamphetamine; Synthesis; Raman spectroscopy; Voltammetry; Density functional theory calculations
A complete physicochemical characterisation of MDMA and its synthetic precursors MDA, 3,4-methylenedioxybenzaldehyde (piperonal) and 3,4-methylenedioxy-[beta]-methyl-[beta]-nitrostyrene was carried out through voltammetric assays and Raman spectroscopy combined with theoretical (DFT) calculations. The former provided important analytical redox data, concluding that the oxidative mechanism of the N-demethylation of MDMA involves the removal of an electron from the amino-nitrogen atom, leading to the formation of a primary amine and an aldehyde. The vibrational spectroscopic experiments enable to afford a rapid and reliable detection of this type of compounds, since they yield characteristic spectral patterns that lead to an unequivocal identification.
http://www.sciencedirect.com/science/article/B6TF4-4P0X5D5-4/1/9762a97e2bf78b805ff2aef86d7a1cc0
