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Heterocyclic analogs of xanthiones: 5,6‐fused 3‐methyl‐1‐phenylpyrano[2,3‐ c ]pyrazol‐4(1 H ) thiones—synthesis and NMR ( 1 H, 13 C, 15 N) data
Author(s) -
Huemer Valerie,
Eller Gernot A.,
Holzer Wolfgang
Publication year - 2010
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.2609
Subject(s) - chemistry , chemical shift , coupling constant , reagent , nuclear magnetic resonance spectroscopy , nmr spectra database , stereochemistry , carbon 13 nmr , proton nmr , spectral line , computational chemistry , organic chemistry , physics , particle physics , astronomy
Various [5,6]pyrano[2,3‐ c ]pyrazol‐4(1 H )‐thiones were synthesized in high yields by treatment of the corresponding [5,6]pyrano[2,3‐ c ]pyrazol‐4(1 H )‐ones with Lawesson's reagent. Detailed NMR spectroscopic studies were undertaken of the title compounds. Complete and unambiguous assignment of chemical shifts ( 1 H, 13 C, 15 N) and coupling constants ( 1 H, 1 H; 13 C, 1 H) was achieved by the combined application of various one‐ and two‐dimensional (1D and 2D) NMR spectroscopic techniques. Unequivocal mapping of most 13 C, 1 H spin coupling constants is accomplished by 2D (δ, J ) long‐range INEPT spectra with selective excitation. Copyright © 2010 John Wiley & Sons, Ltd.