2,3-dichloro-5,6-difluoro-1,4-dioxin | 133349-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,3-dichloro-5,6-difluoro-1,4-dioxin
• 英文别名: 2,3-Dichloro-5,6-difluoro-1,4-dioxine
• CAS: 133349-04-9
• 化学式: C₄Cl₂F₂O₂
• 分子量: 188.946
• InChiKey: ATVQAUYIOVKCLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,3-dichloro-5,6-difluoro-1,4-dioxin 在 氧气 作用下， 生成 草酰氯 、 氟光气 、 草酰氟 、 、 、 3,4-Dichloro-1,6-difluoro-2,5,7-trioxabicyclo[4.1.0]hept-3-ene 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Perhalodioxins and perhalodihydrodioxins

  摘要：

  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.

  DOI：

  10.1021/jo00012a026
• 作为产物：
  描述：

  2,3,5,6-tetrachloro-2,3-difluoro-2,3-dihydro-1,4-dioxin 在 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 98.0 ℃ 、16.0 kPa 条件下， 以37%的产率得到2,3-dichloro-5,6-difluoro-1,4-dioxin
  参考文献：
  名称：

  Perhalodioxins and perhalodihydrodioxins

  摘要：

  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.

  DOI：

  10.1021/jo00012a026

文献信息

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

  DOI：——

  日期：——