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Title: Spectroscopic characterization and crystal structures of two cathinone derivatives : N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride and N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride
Authors: Kuś, Piotr
Kusz, Joachim
Książek, Maria
Pieprzyca, Ewelina
Rojkiewicz, Marcin
Keywords: 4-CEC; 4-Chlorocathinone; Ethcathinone; MS; NMR; X-ray crystallography
Issue Date: 2017
Citation: Forensic Toxicology, Vol. 35, iss. 1 (2017), s. 114-124
Abstract: Comprehensive chemical characterization for two cathinone derivatives, N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride and N-ethyl-2-amino-1-(4-chlorophenyl)-propan-1-one (4-chloroethcathinone, 4-CEC) hydrochloride, in material seized by drug enforcement agencies was performed by nuclear magnetic resonance (NMR) spectroscopy, infrared spectroscopy, gas chromatography–mass spectrometry in positive electron ionization mode, liquid chromatography–mass spectrometry in positive electrospray ionization mode and X-ray crystallography. The examined samples of these two compounds proved to be very pure for ethcathinone and mixed with very small quantities of other substances for 4-CEC by NMR spectroscopy and mass spectrometry. X-ray crystallographic studies confirmed the occurrence of both compounds as racemic mixtures. These spectroscopic and crystallographic data seem very useful for their identification. Especially for 4-CEC, this is the first description on its spectroscopic characterization in a scientific context to our knowledge.
DOI: 10.1007/s11419-016-0345-6
ISSN: 1860-8965
Appears in Collections:Artykuły (WNŚiT)

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