PMID- 15508041
OWN - NLM
STAT- MEDLINE
DCOM- 20050203
LR  - 20191210
IS  - 0003-2654 (Print)
IS  - 0003-2654 (Linking)
VI  - 129
IP  - 11
DP  - 2004 Nov
TI  - Identification of synthetic precursors of amphetamine-like drugs using Raman 
      spectroscopy and ab initio calculations: beta-Methyl-beta-nitrostyrene 
      derivatives.
PG  - 1106-17
AB  - The present work reports a vibrational spectroscopic study of several 
      beta-methyl-beta-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-beta-methyl-beta-nitrostyrene 
      (3,4-MD-MeNS), 4-methoxy-beta-methyl-beta-nitrostyrene (4-MeO-MeNS), 
      4-methylthio-beta-methyl-beta-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 
      pi-electron delocalisation.
FAU - Milhazes, Nuno
AU  - Milhazes N
AD  - Departmento de Quimica Organica, Universidade do Porto, 4050-47 Porto, Portugal.
FAU - Borges, Fernanda
AU  - Borges F
FAU - Calheiros, Rita
AU  - Calheiros R
FAU - Marques, M Paula M
AU  - Marques MP
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20040903
PL  - England
TA  - Analyst
JT  - The Analyst
JID - 0372652
RN  - 0 (Amphetamines)
RN  - 0 (Illicit Drugs)
RN  - 0 (Styrenes)
RN  - 5287E3OUAV (beta-nitrostyrene)
SB  - IM
MH  - Amphetamines/analysis/*chemical synthesis
MH  - Drug Contamination
MH  - Humans
MH  - Illicit Drugs/*chemical synthesis
MH  - Molecular Conformation
MH  - Spectrum Analysis, Raman/methods
MH  - Styrenes/chemistry
EDAT- 2004/10/28 09:00
MHDA- 2005/02/04 09:00
CRDT- 2004/10/28 09:00
PHST- 2004/10/28 09:00 [pubmed]
PHST- 2005/02/04 09:00 [medline]
PHST- 2004/10/28 09:00 [entrez]
AID - 10.1039/b405290k [doi]
PST - ppublish
SO  - Analyst. 2004 Nov;129(11):1106-17. doi: 10.1039/b405290k. Epub 2004 Sep 3.