Identification of synthetic precursors of amphetamine-like drugs using Raman spectroscopy and ab initio calculations: β-Methyl-β-nitrostyrene derivatives
Literature Information
Publication Date
2004-09-03
DOI
10.1039/B405290K
Impact Factor
4.616
Authors
Rita Calheiros
View Original
Abstract
The present work reports a vibrational spectroscopic study of several β-methyl-β-nitrostyrene derivatives, which are important intermediates in the synthesis of illicit amphetamine-like drugs, such as 3,4-methylenedioxymethamphetamine (MDMA), 3,4-methylenedioxyamphetamine (MDA), p-methoxyamphetamine (PMA) and 4-methylthioamphetamine (4-MTA). A complete conformational analysis of 3,4-methylenedioxy-β-methyl-β-nitrostyrene (3,4-MD-MeNS), 4-methoxy-β-methyl-β-nitrostyrene (4-MeO-MeNS), 4-methylthio-β-methyl-β-nitrostyrene (4-MeS-MeNS), was carried out by Raman spectroscopy coupled to ab initio MO calculations—both complete geometry optimisation and harmonic frequency calculation. The Raman spectra show characteristic features of these precursors, which allow their ready differentiation and identification. It was verified that the conformational behaviour of these systems is mainly determined by the stabilising effect of π-electron delocalisation.
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Source Journal
Analyst
CiteScore:
7.8
Self-citation Rate:
5.6%
Articles per Year:
653
Analyst publishes analytical and bioanalytical research that reports premier fundamental discoveries and inventions, and the applications of those discoveries, unconfined by traditional discipline barriers.
Recommended Compounds
![(1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol structure](https://static.chemtradehub.com/structs/761/761423-87-4-dbeb.webp "(1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol structure")
(1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol
CAS Number:
761423-87-4
Molecular Formula:
C21H21FO5S
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