Identification of polymorphism in ethylone hydrochloride: synthesis and characterization.
Ethylone, a synthetic cathinone with psychoactive properties, is a designer drug which has appeared on the recreational drug market in recent years. Since 2012, illicit shipments of ethylone hydrochloride have been intercepted with increasing frequency at the Canadian border. Analysis has revealed that ethylone hydrochloride exists as two distinct polymorphs. In addition, several minor impurities were detected in some seized exhibits. In this study, the two conformational polymorphs of ethylone hydrochloride have been synthesized and fully characterized by FTIR, FT-Raman, powder XRD, GC-MS, ESI-MS/MS and NMR ((13) C CPMAS, (1) H, (13) C). The two polymorphs can be distinguished by vibrational spectroscopy, solid-state nuclear magnetic resonance spectroscopy and X-ray diffraction. The FTIR data are applied to the identification of both polymorphs of ethylone hydrochloride (mixed with methylone hydrochloride) in a laboratory submission labelled as 'Ocean Snow Ultra'. The data presented in this study will assist forensic scientists in the differentiation of the two ethylone hydrochloride polymorphs. This report, alongside our recent article on the single crystal X-ray structure of a second polymorph of this synthetic cathinone, is the first to confirm polymorphism in ethylone hydrochloride. © 2015 Canada Border Services Agency. Drug Testing and Analysis published by John Wiley & Sons, Ltd. © 2015 Canada Border Services Agency. Drug Testing and Analysis published by John Wiley & Sons, Ltd.
Science and Engineering Directorate, Canada Border Services Agency, 79 Bentley Avenue, Ottawa, K2E 6T7, Ontario, Canada.
Chad R
CR
Maheux
Science and Engineering Directorate, Canada Border Services Agency, 79 Bentley Avenue, Ottawa, K2E 6T7, Ontario, Canada.
Idralyn Q
IQ
Alarcon
Science and Engineering Directorate, Canada Border Services Agency, 79 Bentley Avenue, Ottawa, K2E 6T7, Ontario, Canada.
Catherine R
CR
Copeland
Department of Chemistry, Dalhousie University, PO Box 15000, Halifax, Nova Scotia, B3H 4R2, Canada.
T Stanley
TS
Cameron
Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057, Zurich, Switzerland.
Anthony
A
Linden
Department of Chemistry, Dalhousie University, PO Box 15000, Halifax, Nova Scotia, B3H 4R2, Canada.
J Stuart
JS
Grossert
D000096:Acetone / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry; D003460:Crystallization; D018360:Crystallography, X-Ray; D015198:Designer Drugs / Q000138:chemical synthesis / Q000737:chemistry*; D005021:Ethylamines / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008958:Models, Molecular; D008968:Molecular Conformation; D011619:Psychotropic Drugs / Q000138:chemical synthesis / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
C000599434:2-ethylammonio-1-(3,4-methylenedioxyphenyl)propane-1-one chloride; D015198:Designer Drugs; D005021:Ethylamines; D011619:Psychotropic Drugs; D000096:Acetone
designer drugs; ethylone; new psychoactive substances; polymorphism; synthetic cathinones