新型易制毒化学品α-乙酰基苯乙酸甲酯的结构确认和检验鉴定方法研究

Structure Confirmation and Identification ofα-Acetyl-methyl Phenylacetate,a New Precursor Chemical for Designer Drug

目的通过核磁共振波谱(NMR)确认一种新型易制毒原料的分子结构,并建立气相色谱-质谱联用(GC-MS)和衰减全反射红外光谱(FTIR ATR)的检验鉴定方法。方法白色粉末样品用氘代氯仿溶解后进行核磁共振氢谱(^(1)H-NMR)和碳谱(^(13)C-NMR)测试,确认结构;样品用乙酸乙酯溶解后采用GC-MS检测;样品直接用FTIR ATR检测;样品在碱或酸环境中进行水解实验,并用GC-MS检测反应产物。结果通过核磁共振波谱中的氢谱和碳谱确认了该物质的结构,分子式为C_(11)H_(12)O_(3),名称为α-乙酰基苯乙酸甲酯。GC-MS检测得样品中α-乙酰基苯乙酸甲酯保留时间为12.57min,主要的特征离子峰为m/z 43、90、118、150、192。FTIR ATR检测主要的特征峰为3068、3013、2960、2943、1738、1711。水解实验中,α-乙酰基苯乙酸甲酯在碱性环境中能100%转化为1-苯基-2-丙酮(P2P),酸性环境中95%转化为P2P。结论本研究建立了新型易制毒化学品α-乙酰基苯乙酸甲酯的检验鉴定方法,首次成功验证了该化合物水解转化为P2P,为以后易制毒化学品的管制和相关案件的检验提供参考。

Objective To confirm with nuclear magnetic resonance(NMR)about the molecular structure ofα-acetylmethyl phenylacetate(a new precursor chemical for designer drug)that was found from a case,and to establish its identification through GC-MS detection plus an attenuated total reflection infrared spectrometer(FTIR ATR)approach for its qualitative analysis.Methods The white powder sample,seized from a case,was dissolved with deuterium chloroform,having its harboring chemical’s structure confirmed with the engendered ^(1)H-NMR and ^(13)C-NMR spectra.The sample was also dissolved into ethyl acetate to subject to GC-MS detection.Besides,FTIR ATR was adopted to have the sample tested.Furthermore,the sample was hydrolyzed under both alkali and acid environment,having the reaction products detected into GC/MS analysis.Results The structure of the chemical substance seized from the involving case was confirmed through NMR,showing its molecular formula:C_(11)H_(12)O_(3) and systematic name:α-acetyl-methyl phenylacetate.With GC-MS detection,the α-acetyl-methyl phenylacetate was shown of its retention time 12.57 min,leaving the main characteristic fragment ions at m/z 43,90,118,150,and 192.For FTIR ATR test,theα-acetyl-methyl phenylacetate revealed its main characteristic peaks at 3068,3013,2960,2943,1738 and 1711.Regrading to hydrolysis experiment,the α-acetyl-methyl phenylacetate can be 100% and 95% converted to P2P(1-Phenyl-2-Propanone)in alkaline and acidic environment,respectively.Conclusions The identification of α-acetyl-methyl phenylacetate(one new precursor chemical for designer drug)has been established here,having resulted in the first-time successful verification about hydrolysis of α-acetyl-methyl phenylacetate to P2P.The α-acetyl-methyl phenylacetate,presently an unregulated precursor for drug production,can therefore provide a reliable reference for its controlling and qualitative analysis with the discoveries here.