2,2-二硝基-1-(2,2,2-三硝基乙氧基)丙烷 | 133178-81-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 原羧酸衍生物
• 中文名称: 2,2-二硝基-1-(2,2,2-三硝基乙氧基)丙烷
• 英文名称: 2,2,2-trinitroethyl 2,2-dinitropropyl ether
• 英文别名: Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-；2,2-dinitro-1-(2,2,2-trinitroethoxy)propane
• CAS: 133178-81-1
• 化学式: C₅H₇N₅O₁₁
• 分子量: 313.137
• InChiKey: YKAXXNUYOIDGPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  21
• 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：
  238
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-(2,2,2-trinitroethoxy)acetone 在 盐酸羟胺 、 双氧水 、 硝酸 、 乙酸酐 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 2,2-二硝基-1-(2,2,2-三硝基乙氧基)丙烷
  参考文献：
  名称：

  2,2,2-Trinitroethyl ethers of 2,2-dinitroalcohols

  摘要：

  2,2,2-Trinitroethyl ethers of 2,2-dinitroalcohols and some of their derivatives have been obtained for the first time by nitration of oximes of 2,2,2-trinitroethyl ethers of hydroxy ketones and aldehydes with a HNO3-Ac2O mixture, followed by oxidation with H2O2. Starting carbonyl derivatives were prepared by oxidation and hydrolysis of the propargylic and allylic ethers, respectively, of 2,2,2-trinitroethanol followed by further reactions of these compounds.

  DOI：

  10.1007/bf00959717

文献信息

• Sitzmann, Michael E.; Adolph, Horst G., Synthetic Communications, 1990, vol. 20, # 21, p. 3303 - 3311
  作者：Sitzmann, Michael E.、Adolph, Horst G.

  DOI：——

  日期：——
• SITZMANN, MICHAEL E.;ADOLPH, HORST G., SYNTH. COMMUN., 20,(1990) N1, C. 3303-3311
  作者：SITZMANN, MICHAEL E.、ADOLPH, HORST G.

  DOI：——

  日期：——
• 2,2,2-Trinitroethyl ethers of 2,2-dinitroalcohols
  作者：O. A. Luk'yanov、G. V. Pokhvisneva

  DOI：10.1007/bf00959717

  日期：1991.12

  2,2,2-Trinitroethyl ethers of 2,2-dinitroalcohols and some of their derivatives have been obtained for the first time by nitration of oximes of 2,2,2-trinitroethyl ethers of hydroxy ketones and aldehydes with a HNO3-Ac2O mixture, followed by oxidation with H2O2. Starting carbonyl derivatives were prepared by oxidation and hydrolysis of the propargylic and allylic ethers, respectively, of 2,2,2-trinitroethanol followed by further reactions of these compounds.