Objective To confirm with nuclear magnetic resonance (NMR) about the molecular structure of α-acetyl-methyl 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 1H-NMR and 13C-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: C11H12O3 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, the α-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.
Key words
precursor chemicals /
α-acetyl-methyl phenylacetate /
NMR /
GC-MS /
FTIR ATR
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