Exploiting natural abundance13C-15N coupling as a method for identification of nitrogen heterocycles: practical use of the HCNMBC sequence
| Autor: | Eriks Kupče, Steve Cheatham, Michael Kline |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Coupling constant
Sequence Abundance (chemistry) Chemistry chemistry.chemical_element General Chemistry Nitrogen Measure (mathematics) Identification (information) Coupling (computer programming) Organic chemistry General Materials Science Biological system Two-dimensional nuclear magnetic resonance spectroscopy |
| Zdroj: | Magnetic Resonance in Chemistry. 53:363-368 |
| ISSN: | 0749-1581 |
| DOI: | 10.1002/mrc.4205 |
| Popis: | In this paper, we detail the results of 1H–15N correlation data obtained via 13C–15N coupling at natural abundance on a number of classes of azoles including pyrazoles, imidazoles and triazoles. The experiment produces data that is highly complementary to direct 1H–15N HMBC type correlations in that it can provide 15N chemical shift data for nitrogen that may not show up in the HMBC. This is particularly advantageous in the triazoles where 15N chemical shift can be diagnostic of regiochemistry. Because of the consistency in JCN values among the azoles, the experiment produces distinctive correlation patterns that can be used for identification of regiochemistry. The experiment can also be used to directly measure 13C–15N coupling constants. Copyright © 2015 John Wiley & Sons, Ltd. |
| Databáze: | OpenAIRE |
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