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Tautomerism and 1H, 13C and 15N NMR spectral assignments of some nitro derivatives of malonic acid diamide

✍ Scribed by Muriel Sebban; Jérome Guillard; Pascal Palmas; Didier Poullain

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
96 KB
Volume
43
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Because of its reactivity, malonic acid diamide (1) was initially identified as an alternative precursor for the development of a new class of high‐density insensitive energetic materials possessing low sensitivity to thermal decomposition and detonation by impact. Nitration of 1 was studied under different conditions and led to three different tautomeric forms (2–4) of nitromalonic acid diamine. Using stronger oxidation conditions the oxadiazole 5 was generated in one step. We report the full ^1^H, ^13^C and ^15^N NMR structural characterization of these compounds in DMSO together with thermal, infrared, mass spectrometric and x‐ray analysis. Experimental data obtained for 4 are compatible with an enol‐imine form. Our interpretation is consistent with calculated ^1^H and ^13^C NMR spectra (ACD). Copyright © 2005 John Wiley & Sons, Ltd.

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