Spectroscopic Characterization of 6-Nitryl-7-diisopropyl Coumarin Phosphate

Abstract

Abstract:

In this study, 7-hydroxycoumarin was nitrified using nitric acid in ethanol solvent to obtain 6-nitro-7-hydroxycoumarin. Phosphorylation of 6nitro-7-hydroxycoumarin, however, could not be realized using the traditional Atheron-Todd reaction. By adding a little potassium carbonate into the reaction vessel, the phosphorylation reaction occurred successfully. Complete assignment of the ¹H and ¹³C NMR chemical shifts of phosphorylated 6-nitro-7-hydroxycoumarin was achieved with 2D NMR techniques, including DEPT, ¹H-¹H COSY, HSQC and HMBC. The structure of the compound was also elucidated by X-ray crystallography.

Key words: NMR, assignment, 2D NMR, X-ray crystallography, 6-nitryl-7-diisopropyl coumarin phosphate

CLC Number:

O641

CHEN Xiao-Lan, XU Shao-Hua, QU Ling-Bo, YUAN Jin-Wei, LI Xi-Yong, WANG Jun-Liang, LI Hui-Na. Spectroscopic Characterization of 6-Nitryl-7-diisopropyl Coumarin Phosphate[J]. Chinese Journal of Magnetic Resonance, 2010, 27(4): 635-641.

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Spectroscopic Characterization of 6-Nitryl-7-diisopropyl Coumarin Phosphate

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