Spectroscopic characterization and crystal structures of two cathinone derivatives: 1-(4-chlorophenyl)-2-(1-pyrrolidinyl)-pentan-1-one (4-chloro-α-PVP) sulfate and 1-(4-methylphenyl)-2-(dimethylamino)-propan-1-one (4-MDMC) hydrochloride salts, seized on illicit drug market

Piotr Kuś; Joachim Kusz; Maria Książek; Ewelina Pieprzyca; Marcin Rojkiewicz

doi:10.1007/s11419-017-0381-x

Spectroscopic characterization and crystal structures of two cathinone derivatives: 1-(4-chlorophenyl)-2-(1-pyrrolidinyl)-pentan-1-one (4-chloro-α-PVP) sulfate and 1-(4-methylphenyl)-2-(dimethylamino)-propan-1-one (4-MDMC) hydrochloride salts, seized on illicit drug market

Forensic Toxicol. 2018;36(1):178-184. doi: 10.1007/s11419-017-0381-x. Epub 2017 Aug 29.

Authors

Piotr Kuś¹, Joachim Kusz², Maria Książek², Ewelina Pieprzyca³, Marcin Rojkiewicz¹

Affiliations

¹ 1Department of Chemistry, University of Silesia, 9 Szkolna Street, 40-006 Katowice, Poland.
² 2Institute of Physics, University of Silesia, 4 Uniwersytecka Street, 40-007 Katowice, Poland.
³ 3Department of Forensic Medicine, Medical University of Silesia, 15 Poniatowskiego Street, Katowice, Poland.

Abstract

Purpose: Two compounds newly found in the seizures by drug enforcement agencies were identified and characterized by various instrumental analytical methods.

Methods: The obtained powder samples were analyzed by gas chromatography-mass spectrometry (GC-MS), liquid chromatography-mass spectrometryⁿ (LC-MSⁿ), nuclear magnetic resonance (NMR) spectroscopy, infrared and Raman spectroscopy and X-ray crystallography.

Results: The two compounds were tentatively identified as 4-chloro-α-PVP and 4-MDMC by GC-MS, and LC-MS/MS. The confirmation of the results was made by NMR spectroscopy. The X-ray crystallography gave information that 4-chloro-α-PVP and 4-MDMC were in salted forms with sulfate and hydrochloride, respectively; in addition, both compounds existed as racemic mixtures.

Conclusions: We could identify 4-chloro-α-PVP and 4-MDMC in the seizure powder samples by various analytical methods. X-ray crystallography was especially useful for identifying the salted forms and enantiomeric forms.

Keywords: 4-Chloro-α-PVP; 4-MDMC; Infrared spectroscopy; NMR spectroscopy; Raman spectroscopy; X-ray crystallography.