甲基胺酮的结构及性质分析

Analysis of the Structure and Properties of 2-MDCK

2-(甲氨基)-2-(o-甲苯基)环己-1-酮[2-(methylamino)-2-(o-tolyl)cyclohexan-1-one],简称甲基胺酮或2-MDCK,是氯胺酮的一种结构类似物,因此也具有类似的神经抑制、兴奋、镇痛和致幻等作用。本研究采用气相色谱-质谱法(GC-MS)、液相色谱-质谱法(LC-MS)和核磁共振波谱法(NMR)及傅里叶变换红外光谱法(FT-IR)和紫外-可见吸收光谱法(UV-Vis)等多种分析方法总结了甲基胺酮各种谱图信息,并通过分析碎片离子的结构来模拟分子的裂解途径,结合1H/13C/DEPT/二维(HMBC)核磁的谱图分析,鉴别出了甲基胺酮的化学结构。本研究提出一种结合多种分析方法协同表征分析的思路,可为鉴定该类物质或新的未知结化合物提供参考。

2-(methylamino)-2-(o-tolyl)cyclohexan-1-one),2-MDCK,is one analogue of ketamine,therefore,it still has the similar affections as ketamine,including neural inhibition,excitation,analgesia,psychoactive,etc.In this report,the spectrums of 2-MDCK were characterized by Gas chromatography-mass spectrometry(GC-MS),Liquid chromatography-mass spectrometry(LC-MS)and Nuclear magnetic resonance spectroscopy(NMR),Fourier transform infrared spectroscopy(FT-IR)and Ultraviolet visible absorption spectroscopy(UV-Vis),and then the chemical structure of 2-MDCK was defined through combining following two methods.To simulate the possible splitting pathways of 2-MDCK by deducing the structure of the fragment ions,and to analyze the 1H/13C/DEPT/HMBC NMR spectrums.This work proposes a collaborative characterization analysis approach that combines multiple analytical methods,which can provide reference for identifying such substances or new unknown compounds.