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以无机试剂组成的三元复合亚硝解脱苄试剂,由四乙酰基二苄基六氮杂异伍兹烷(TADBIW)合成了四乙酰基二亚硝基六氮杂异伍兹烷(TADNIW?H2O)——合成高能量密度化合物六硝基六氮杂异伍兹烷(HNIW)和其他高能量密度精细化工产品的另一重要前体.目标化合物的分子结构用1HNMR,IR,MS及元素分析方法进行结构鉴定.在乙酸乙酯、丙酮和DMF组成的混合溶剂中制得TADNIW?H2O单晶,用X射线衍射法测定了目标化合物的晶体结构,晶体学数据:单斜晶系,空间群P21/n;晶胞参数:a=1.0738(2)nm,b=1.4870(3)nm,c=1.1185(2)nm,β=98.95(3)°;V=1.7642(6)nm3;Z=4;Dc=1.553g?cm-3,F(000)=864,μ=0.126mm-1.与其他前体相比,TADNIW更容易经硝解转化为HNIW.
Tetraacetyl dinitrosohexaazaisowurtzitane (TADNIW? H2O) was synthesized from tetrakisacetyldibenzylhexaazaisowurtzitane (TADBIW) by ternary complex nitroso-debenzylation reagent consisting of inorganic reagents. - Another important precursor for the synthesis of HNIW and other high-energy-density fine chemical compounds, the molecular structure of the target compound has been characterized by 1HNMR, IR, MS and elemental analysis TADNIW? H2O single crystals were prepared in a mixed solvent of ethyl acetate, acetone and DMF. The crystal structure of the target compound was determined by X-ray diffraction. The crystallographic data were monoclinic, space group P21 / a = 1.0738 (2) nm, b = 1.4870 (3) nm, c = 1.1185 (2) nm, β = 98.95 (3) °; V = 1.7642 (6) nm3; Dc = 1.553g? Cm-3, F (000) = 864, μ = 0.126mm-1 TADNIW is more easily converted to HNIW by nitrolysis than other precursors.