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

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 spectrometry(n) (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-alpha-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-alpha-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-alpha-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.