(2,2,2-Trinitro-ethoxy)-acetaldehyde | 139022-44-9

• 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
• 英文名称: (2,2,2-Trinitro-ethoxy)-acetaldehyde
• 英文别名: 2-(2,2,2-trinitroethoxy)acetaldehyde
• CAS: 139022-44-9
• 化学式: C₄H₅N₃O₈
• 分子量: 223.099
• InChiKey: HXFFUXRVIOXTFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2,2,2-Trinitro-ethoxy)-acetaldehyde 在 盐酸羟胺 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 乙醛,(2,2,2-三硝基乙氧基)-,肟
  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
• 作为产物：
  描述：

  3-(2,2,2-Trinitro-ethoxy)-propane-1,2-diol 在 lead(IV) acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 0.5h， 以46%的产率得到(2,2,2-Trinitro-ethoxy)-acetaldehyde
  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