title: Spectroscopic characterization and crystal structures of two cathinone derivatives:N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride andN-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride.
abstract: Comprehensive chemical characterization for two cathinone derivatives,N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride andN-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.
authors.affiliation: Department of Chemistry, University of Silesia, 9 Szkolna Street, 40-006 Katowice, Poland.
authors.forename: Piotr
authors.identifier: 0000-0003-0679-1483
authors.initials: P
authors.lastname: Kuś
authors.affiliation: Institute of Physics, University of Silesia, 4 Uniwersytecka Street, 40-007 Katowice, Poland.
authors.forename: Joachim
authors.initials: J
authors.lastname: Kusz
authors.affiliation: Institute of Physics, University of Silesia, 4 Uniwersytecka Street, 40-007 Katowice, Poland.
authors.forename: Maria
authors.initials: M
authors.lastname: Książek
authors.affiliation: Department of Forensic Medicine, Medical University of Silesia, 15 Poniatowskiego Street, 40-055 Katowice, Poland.
authors.forename: Ewelina
authors.initials: E
authors.lastname: Pieprzyca
authors.affiliation: Department of Chemistry, University of Silesia, 9 Szkolna Street, 40-006 Katowice, Poland.
authors.forename: Marcin
authors.initials: M
authors.lastname: Rojkiewicz
keywords: 4-CEC; 4-Chlorocathinone; Ethcathinone; MS; NMR; X-ray crystallography