Structure elucidation of a novel group of dithiocarbamate derivatives using 1D and 2D NMR spectroscopy |
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Authors: | Li Qin Yang Chunhui Ge Ze-Mei Li Runtao Cui Yuxin |
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Affiliation: | State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Medical and Healthy Analysis Center, Peking University, Beijing, 100083, China. |
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Abstract: | Compounds 1-7 form a novel group of dithiocarbamates, first synthesized from the reaction of a series of primary amines with carbon disulfide and 3-bromo ethyl pyruvate in the presence of anhydrous potassium phosphate. Structure elucidation of this group of compounds was accomplished using extensive 1D and 2D NMR spectroscopic studies, including (1)H, (13)C, COSY, NOESY, HSQC, and gHMBC experiments. The distinction between the linear structures I, II and the cyclic structure III was made mainly on the basis of the analysis of the cross peak between H-2 and H-4a in the COSY spectra, in combination with the long-range correlation between H-2 and C-4, 6 in the gHMBC spectra. |
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Keywords: | NMR 1H NMR 13C NMR 2D NMR structural elucidation dithiocarbamates |
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