1,3-bis(6-acetoacetoxyhexyl)imidazolium bromide | 1415133-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis(6-acetoacetoxyhexyl)imidazolium bromide
• CAS: 1415133-08-2
• 化学式: Br*C₂₃H₃₇N₂O₆
• 分子量: 517.461
• InChiKey: HAUUTHJDRCTNCQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.05
• 重原子数：
  32.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  95.55
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1,3-bis(6-acetoacetoxyhexyl)imidazolium bromide 在 氟硼酸钠 作用下， 以 丙酮 为溶剂， 以85%的产率得到1,3-bis(6-acetoacetoxyhexyl)imidazolium tetrafluoroborate
  参考文献：
  名称：

  Synthesis and thermal analysis of crosslinked imidazolium-containing polyester networks prepared by Michael addition polymerization

  摘要：

  Several new covalently crosslinked imidazolium-containing polyester networks were prepared by Michael addition polymerization to probe how ionic functionality might affect thermal properties such as glass transition temperature (T-g) and thermal decomposition (T-d5%). A structure-activity relationship was investigated involving a variation of the methylene spacer and the counteranion of the acetoacetate precursors. Analysis of T-g by differential scanning calorimetry (DSC) indicated that a longer methylene spacer (n = 6 versus 2) resulted in lower T-g values due to increased chain mobility. It was also discovered that the larger the counteranion, the lower the T-g(Br- > NO3- approximate to BF4- CF3CO2- > NTf2-). Thermogravimetric analysis (TGA) indicated that the thermal stability of the polyesters was inversely related to the basicity of the counteranion used, following the trend: (NTf2- > BF4- > NO3- > Br-). The exception was the trifluoroacetate-containing polyester, which exhibited the lowest thermal stability. Published by Elsevier Ltd.

  DOI：

  10.1016/j.polymer.2012.10.040
• 作为产物：
  描述：

  乙酰乙酸叔丁酯 、 1,3-bis(6-hydroxyhexyl)imidazolium bromide 以 乙腈 为溶剂， 反应 4.0h， 以97%的产率得到1,3-bis(6-acetoacetoxyhexyl)imidazolium bromide
  参考文献：
  名称：

  Synthesis and thermal analysis of crosslinked imidazolium-containing polyester networks prepared by Michael addition polymerization

  摘要：

  Several new covalently crosslinked imidazolium-containing polyester networks were prepared by Michael addition polymerization to probe how ionic functionality might affect thermal properties such as glass transition temperature (T-g) and thermal decomposition (T-d5%). A structure-activity relationship was investigated involving a variation of the methylene spacer and the counteranion of the acetoacetate precursors. Analysis of T-g by differential scanning calorimetry (DSC) indicated that a longer methylene spacer (n = 6 versus 2) resulted in lower T-g values due to increased chain mobility. It was also discovered that the larger the counteranion, the lower the T-g(Br- > NO3- approximate to BF4- CF3CO2- > NTf2-). Thermogravimetric analysis (TGA) indicated that the thermal stability of the polyesters was inversely related to the basicity of the counteranion used, following the trend: (NTf2- > BF4- > NO3- > Br-). The exception was the trifluoroacetate-containing polyester, which exhibited the lowest thermal stability. Published by Elsevier Ltd.

  DOI：

  10.1016/j.polymer.2012.10.040