Synthesis and structural characterization of 2,3-bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol tetra p-toluenesulfonate

Synthesis and structural characterization of 2,3-bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol... 2,3-Bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol tetra p-toluenesulfonate has been synthesized from nitromethane via condensation, cyclization, oxidative coupling, hydrolysis, and sulfonation. The total yield was 46.5 %. The structures of the title compound and intermediates were characterized by 1H NMR, IR, and MS. X-ray single-crystal diffraction analysis revealed the title compound belongs to triclinic system; the space group is P-1. Mr = 856.89. The crystal cell data were: a = 11.341(2) nm, b = 13.743(3) nm, c = 14.845(3) nm, α = 104.69(3)°, β = 98.80(3)°, γ = 110.30(3)°, V = 2023.7(9) nm3, Z = 2, Dc = 1.406 g cm−3, F(000) = 892, μ = 0.306 mm−1, R = 0.0749, and wR 2 = 0.1893. Results from study of the thermal properties of the compound by DSC indicated its melting point and decomposition temperature were 400.25 and 510.70 K, respectively. Research on Chemical Intermediates Springer Journals

Synthesis and structural characterization of 2,3-bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol tetra p-toluenesulfonate

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Springer Netherlands
Copyright © 2013 by Springer Science+Business Media Dordrecht
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
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