17003-75-7Relevant academic research and scientific papers
Polynitroethyl- and fluorodinitroethyl substituted boron esters
Klapoetke, Thomas M.,Krumm, Burkhard,Moll, Richard
, p. 12113 - 12123 (2013)
The reaction of boron oxide with various nitro-substituted ethanols (2-nitroethanol, 2-fluoro-2,2-dinitroethanol, 2,2,2-trinitroethanol) furnished the corresponding nitroethyl borates B(OCH2CH2NO 2)3 (1), B(OCH2CF(NO2) 2)3 (2), and B(OCH2C(NO2) 3)3 (3). Fluorination of the anion [(NO2) 2CCH2OH]- (4) resulted in 2-fluoro-2,2- dinitroethanol (5), a precursor for 2, and was thoroughly characterized. An interesting condensation was observed with the anion 4 to form the unusual dianion [(NO2)2CCH2C(NO2) 2]2- (6). All compounds were fully characterized by multinuclear NMR spectroscopy, vibrational spectroscopy (IR, Raman), mass spectrometry and elemental analysis. The chemical, physical and energetic properties of 1-3 and 5 are reported, as well as quantum chemical calculations at the CBS-4M level of theory to predict the enthalpies and energies of formation. X-ray diffraction studies were performed, and the crystal structures for compounds 1-6 were determined and discussed thoroughly. The boron esters 1-3 are of interest as possible candidates for smoke-free, green colorants in pyrotechnic applications, and in case of 2 and 3 also as promising high energy oxidizers. Copyright
2 - Fluoro - 2, 2 - dinitroethyl preparation method (by machine translation)
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Paragraph 0034; 0043; 0044; 0045; 0053; 0054; 0055; 0063, (2019/07/04)
The invention discloses a 2 - fluoro - 2, 2 - dinitroethyl preparation method, in order to barbituric acid as the raw material, concentrated sulfuric acid and fuming nitric acid as a nitrating agent, to nitration, hydrolysis to obtain the geminally nitro acetazolamide urea, then in the KOH in alkaline solution further hydrolysis, up to 87% yields of intermediate [...] a salt, then a 37% formaldehyde solution, under alkaline conditions, the addition reaction, to obtain 2, 2 - dinitroethyl a salt, and the final selective fluorination reagent 1 - chloromethyl - 4 - fluoro - 1, 4 - diazo bicyclic 2.2.2 octane double (tetra fluoborate) salt, at room temperature to obtain 2 - fluoro - 2, 2 - dinitroethyl, a yield of 86%. The synthesis method has overcome the defects of the prior art, preparation method and high production efficiency, the material cost is cheap, the mature and stable, safe and reliable, the synthesis step is simple and easy to operate, simple process, with engineering application prospect. (by machine translation)
