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Spectroscopic and Crystallographic Characterization of Two Hydrochloride Cathinones: 1-(4-fluoro-3-methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one (4-F-3-Me-α-PVP) and N-ethyl-2-amino-1-phenylheptan-1-one (N-ethylheptedrone)
Crystals ( IF 2.4 ) Pub Date : 2023-06-10 , DOI: 10.3390/cryst13060934
Marcin Rojkiewicz 1, 2 , Piotr Kuś 1 , Joachim Kusz 3 , Maria Książek 3 , Dorota Staszek 4
Affiliation  

In this paper, two cathinone derivatives, 4F-3Me-α-PVP and N-ethylheptedrone, seized on the illegal drug market in Poland, were described and characterized by various instrumental analytical methods. The compounds were characterized by electrospray ionization mass spectrometry, high-resolution mass spectrometry, gas chromatography–mass spectrometry, infrared spectroscopy, X-ray crystallography, thermogravimetric analysis, differential scanning calorimetry and nuclear magnetic resonance spectroscopy. The two tested compounds were confirmed as 1-(4-fluoro-3-methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one and N-ethyl-2-amino-1-phenylheptan-1-one hydrochlorides; both are cathinone derivatives available on the market for new psychoactive substances (NPS). The obtained analytical data should be useful for forensic and toxicological purposes in the rapid and reliable identification of compounds.

中文翻译:

两种盐酸盐卡西酮的光谱和晶体学表征:1-(4-氟-3-甲基苯基)-2-(吡咯烷-1-基)戊-1-酮(4-F-3-Me-α-PVP)和N -乙基-2-氨基-1-苯基庚烷-1-酮(N-乙基庚酮)

本文对波兰非法毒品市场上查获的两种卡西酮衍生物 4F-3Me-α-PVP 和 N-乙基庚酮进行了描述并通过各种仪器分析方法进行了表征。通过电喷雾电离质谱、高分辨率质谱、气相色谱-质谱、红外光谱、X射线晶体学、热重分析、差示扫描量热法和核磁共振波谱对化合物进行了表征。两种受试化合物经确认为1-(4-氟-3-甲基苯基)-2-(吡咯烷-1-基)戊-1-酮和N-乙基-2-氨基-1-苯基庚-1-酮盐酸盐; 两者都是市场上可用于新型精神活性物质 (NPS) 的卡西酮衍生物。
更新日期:2023-06-10
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