3-(2,2,2-Trinitro-ethoxy)-propyne | 138648-98-3

• 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: 3-(2,2,2-Trinitro-ethoxy)-propyne
• 英文别名: 3-(2,2,2-Trinitroethoxy)prop-1-yne
• CAS: 138648-98-3
• 化学式: C₅H₅N₃O₇
• 分子量: 219.111
• InChiKey: LZQIKLHFDRXIPG-UHFFFAOYSA-N

物化性质

• 沸点：
  284.8±40.0 °C(Predicted)
• 密度：
  1.569±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(2,2,2-Trinitro-ethoxy)-propyne 在 硫酸 、 溴 、 mercury(II) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.5h， 生成 1-bromo-2,2-dimethoxy-3-(2,2,2-trinitroethoxy)propane
  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-chloromethoxy-propyne 、 triethylammonium trinitromethane salt 以 乙腈 为溶剂， 反应 72.0h， 以18%的产率得到3-(2,2,2-Trinitro-ethoxy)-propyne
  参考文献：
  名称：

  Trinitroethyl ethers of substituted alcohols

  摘要：

  The influence of the trinitromethane salt cations and the substituents in the alkyl moiety of chloromethyl ethers of alcohols on the yields of trinitroethyl ethers of the substituted alcohols formed from them was established. On this basis a representative series of previously unavailable trinitroethanol ethers was synthesized.

  DOI：

  10.1007/bf00961040

文献信息

• Trinitroethyl ethers of substituted alcohols
  作者：O. A. Luk'yanov、G. V. Pokhvisneva

  DOI：10.1007/bf00961040

  日期：1991.11

  The influence of the trinitromethane salt cations and the substituents in the alkyl moiety of chloromethyl ethers of alcohols on the yields of trinitroethyl ethers of the substituted alcohols formed from them was established. On this basis a representative series of previously unavailable trinitroethanol ethers was synthesized.
• 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.