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Structure elucidation of a novel group of dithiocarbamate derivatives using 1D and 2D NMR spectroscopy
Author(s) -
Li Qin,
Yang Chunhui,
Ge ZeMei,
Li Runtao,
Cui Yuxin
Publication year - 2006
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1808
Subject(s) - chemistry , dithiocarbamate , two dimensional nuclear magnetic resonance spectroscopy , heteronuclear single quantum coherence spectroscopy , stereochemistry , nuclear magnetic resonance spectroscopy , carbon 13 nmr , nmr spectra database , spectral line , organic chemistry , physics , astronomy
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. Copyright © 2006 John Wiley & Sons, Ltd.