2,3-epoxy-2,3,5,6-tetrachloro-2,3-dihydro-1.4-dioxin | 133349-07-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3-epoxy-2,3,5,6-tetrachloro-2,3-dihydro-1.4-dioxin
• 英文别名: 1,3,4,6-Tetrachloro-2,5,7-trioxabicyclo[4.1.0]hept-3-ene
• CAS: 133349-07-2
• 化学式: C₄Cl₄O₃
• 分子量: 237.854
• InChiKey: VAEAAHMBOOKPNG-UHFFFAOYSA-N

物化性质

• 沸点：
  209.4±40.0 °C(Predicted)
• 密度：
  2.03±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tetrachloro-1,4-dioxin 、 氧气 以32%的产率得到
  参考文献：
  名称：

  KRESPAN, CARL G.;DIXON, DAVID A., J. ORG. CHEM., 56,(1991) N2, C. 3915-3923

  摘要：

  DOI：

文献信息

• Perhalodioxins and perhalodihydrodioxins
  作者：Carl G. Krespan、David A. Dixon

  DOI：10.1021/jo00012a026

  日期：1991.6

  Two perhalo-1,4-dioxins, representatives of a previously unknown class of compounds, have been synthesized and shown to exhibit unusual reactivity. In particular, reaction with oxygen is spontaneous and exothermic, and radical-catalyzed homopolymerization will proceed through a fluorinated double bond. Representatives of the perhalo-2,3-dihydro-1,4-dioxin class have also been prepared and found to have reactivity in general intermediate to that of the perhalodioxoles and acyclic trifluorovinyl ethers. Computational studies of the two systems established that introduction of the first double bond raises the energy substantially, while the second double bond results in a near-planar ring with dramatically increased energy content.