2,2-二甲基-1,3-丙烷二醇二硝酸酯 | 26482-65-5

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 中文名称: 2,2-二甲基-1,3-丙烷二醇二硝酸酯
• 英文名称: 2,2-dimethyl-1,3-propanediol dinitrate
• 英文别名: 2,2-dimethylpropane-1,3-diol dinitrate；2,2-dimethyl-1,3-bis-nitryloxy-propane；2.2-Dimethyl-propandiol-(1.3)-dinitrat；2,2-Dimethyl-1,3-bis-nitryloxy-propan；Neopentyl glycol dinitrate；(2,2-dimethyl-3-nitrooxypropyl) nitrate
• CAS: 26482-65-5
• 化学式: C₅H₁₀N₂O₆
• 分子量: 194.144
• InChiKey: KMZHSZUYWUWLOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2920909090

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-1,3-丙烷二醇二硝酸酯 以 1,2,3,4-四氢萘 为溶剂， 生成 甲基环氧丙烷 、 聚合甲醛 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  硝酸酯的热分解

  摘要：

  Rates of thermal decomposition and solvent rate effects have been measured for a series of nitrate esters. The alkoxy radicals formed by homolysis together with some of their further degradation products have been stabilized by hydrogen donation. Internal and external return of nitrogen dioxide have been demonstrated by solvent cage effects and isotope exchange. Radical-stabilizing substituents favor beta-scission. Dinitrates in a 1,5 relationship behave as isolated mononitrates. Dinitrates in a 1,3 or 1,4 relationship exhibit intramolecular reactions. Tertiary nitrate esters in diethyl ether undergo elimination rather than homolysis.

  DOI：

  10.1021/j100163a013
• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 硫酸 、 硝酸 作用下， 生成 2,2-二甲基-1,3-丙烷二醇二硝酸酯
  参考文献：
  名称：

  通过五氧化二氮（N 2 O 5）开环氧杂环丁烷的硝化反应制备二硝酸和多硝酸盐

  摘要：

  十个带有各种取代基的氧杂环丁烷在氯化烃溶剂中与N 2 O 5反应，生成1,3-二硬脂酸酯（I）通过开环硝化作用。衍生自在2-位未被取代的氧杂环丁烷的二/三硝酸盐的产率为73-88％，而带有此类取代基的氧杂环丁烷的产率为15-21％。虽然带有非羟基取代基（环氧（环氧乙烷基），螺-氧杂环丁烷和烯烃）的氧杂环丁烷的选择性环裂解是不可能的，但通常来说，在用于产生可用作前体的硝基-甲基氧杂环丁烷的条件下，可以实现羟烷基氧杂环丁烷的选择性硝化。高能聚醚。与代表性环氧化物的半定量反应性比较表明，氧杂环丁烷对N 2 O 5的反应性较低，这是由于其较低的环应变所预期的。

  DOI：

  10.1016/s0040-4020(01)87979-5

文献信息

• Clean nitrations: Novel syntheses of nitramines and nitrate esters by nitrodesilylation reactions using dinitrogen pentoxide (N 2 O 5 )
  作者：Ross W. Millar、Simon P. Philbin

  DOI：10.1016/s0040-4020(97)00093-8

  日期：1997.3

  with conventional substrates (amines or alcohols). These nitrodesilylation reactions proceed cleanly and in good yield, and the scope of the reaction is illustrated by. 29 examples, some of which produce high energy compounds, notably plasticisers and an energetic polymer precursor. These reactions are therefore potentially clean nitrations for the manufacture of energetic compounds which will minimise

  在这种新型的硝化方法中，使用惰性溶剂中的五氧化二氮（N 2 O 5）作为硝化剂，从而无需使用强酸作为反应介质。N 2 O 5分别在甲硅烷基胺和甲硅烷基醚中裂解杂原子-硅键，得到所需的高能基团（分别为硝胺或硝酸酯），而不会释放常规底物（胺或醇）会发生的酸。这些氮代甲硅烷基化反应清洁且收率良好，反应范围如下所示。29个实例，其中一些可以生产高能化合物，尤其是增塑剂和高能聚合物前体。因此，这些反应是潜在的清洁硝化反应，可用于生产高能化合物，这将在将来最大程度地降低这种活性对环境的影响。
• Nitration by oxides of nitrogen, part 1: preparation of nitrate esters by reaction of strained-ring oxygen heterocycles with dinitrogen pentoxide
  作者：P. Golding、R W Millar、N C Paul、D H Richards (deceased)

  DOI：10.1016/0040-4039(88)85272-9

  日期：——

  Epoxides and oxetanes react with dinitrogen pentoxide to give the corresponding dinitrates in high to near quantitative yields. The scope and limitations of the method are briefly discussed.

  环氧化物和氧杂环丁烷与五氧化二氮反应生成高或接近定量收率的相应二硝酸盐。简要讨论了该方法的范围和局限性。
• Sila-Substitution of Alkyl Nitrates: Synthesis, Structural Characterization, and Sensitivity Studies of Highly Explosive (Nitratomethyl)-, Bis(nitratomethyl)-, and Tris(nitratomethyl)silanes and Their Corresponding Carbon Analogues
  作者：Camilla Evangelisti、Thomas M. Klapötke、Burkhard Krumm、Anian Nieder、Raphael J. F. Berger、Stuart A. Hayes、Norbert W. Mitzel、Dennis Troegel、Reinhold Tacke

  DOI：10.1021/ic902387y

  日期：2010.6.7

  A series of analogous nitratomethyl compounds of carbon and silicon of the formula types Me3EICH2ONO2 (1a/1b), Me2EI(CH2ONO2)(2) (2a/2b), MeEI(CH2ONO2)(3) (3a/3b), (CH2)(4)EI(CH2ONO2)(2) (4a/4b), and (CH2)(5)EI(CH2ONO2)(2) (5a/5b) were synthesized [El = C (a), Si (b); (CH2)(4)EI = (sila)cyclopentane-1,1-diy1; (CH2)(5)EI = (sila)cyclohexane-1,1-diy1]. All compounds were characterized by using NMR, IR, and Raman spectroscopy and mass spectrometry. In addition, the crystal structures of Me2C(CH2ONO2)(2) (2a), (CH2)(4)C(CH2ONO2)(2) (4a), Me2Si(CH2ONO2)(2) (2b), and (CH2)(5)Si(CH2ONO2)(2) (5b) were determined by single-crystal X-ray diffraction. The gas-phase structures of the C/Si analogues la and lb were determined by electron diffraction and compared with the results of quantum chemical calculations at different levels of theory. The thermal stabilities of the C/Si pairs la/lb-5a/5b were investigated by using DSC. In addition, their friction and impact sensitivities were measured with standard BAM methods. The extreme sensitivities of the silicon compounds lb 5b compared to those of the corresponding carbon analogues 1a 5a were discussed in terms of the structures of the C/Si analogues and possible geminal Si center dot center dot center dot O interactions.
• Explosive composition
  申请人：DU PONT

  公开号：US01883045A1

  公开（公告）日：1932-10-18
• GOLDING, P.;MILLAR, R. W.;PAUL, N. C.;RICHARDS, D. H., TETRAHEDRON LETT., 29,(1988) N 22, 2731-2734
  作者：GOLDING, P.、MILLAR, R. W.、PAUL, N. C.、RICHARDS, D. H.

  DOI：——

  日期：——

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