2,2,4,4,6,6-hexakis-(5-hexenyl-1-oxy)cyclotriphosphazene | 1289636-27-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4,4,6,6-hexakis-(5-hexenyl-1-oxy)cyclotriphosphazene
• CAS: 1289636-27-6
• 化学式: C₃₆H₆₆N₃O₆P₃
• 分子量: 729.858
• InChiKey: NTOVUJVWKIBDMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.08
• 重原子数：
  48.0
• 可旋转键数：
  36.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  92.46
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2,2,4,4,6,6-hexakis-(5-hexenyl-1-oxy)cyclotriphosphazene 在 2,6-二叔丁基-4-甲基苯酚 、 碘基三丁基锡 、 四丁基碘化铵 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 2,2,4,4,6,6-hexakis-(4-(4-butoxy)-1,3-dioxolan-2-one)cyclotriphosphazene
  参考文献：
  名称：

  Model Compounds Based on Cyclotriphosphazene and Hexaphenylbenzene with Tethered Li⁺-Solvents and Their Ion-Conducting Properties

  摘要：

  To improve the lithium ion conductivities of currently used electrolytes, it is critical to understand how the transport of the lithium ions within the matrix is influenced by their interactions with solvating moieties. Therefore, well-defined model compounds based on cyclotriphosphazene (CTP) and hexaphenylbenzene (HPB) cores were prepared, bearing side groups containing the structural element of ethylene carbonate, which is the common solvent for lithium salts used as electrolytes in Li-ion batteries. All model compounds were highly pure and thermally stable up to at least 250 degrees C, covering a broad range of glass transition temperatures from -79 degrees C up to +3.5 degrees C. The temperature-dependent ionic conductivities of the blends follow a William-Landel-Ferry (WLF) type behavior with the corresponding glass transition temperatures as reference. Though the glass transition temperatures of the blends are low, their conductivities are only in the range of typical polymer electrolytes, implying that the coordination between the cyclic carbonate functionality and the Li-ion is apparently too tight to allow for fast Li-ion dynamics.

  DOI：

  10.1021/cm103559d
• 作为产物：
  描述：

  六氯环三磷腈 、 5-己烯-1-醇 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以77%的产率得到2,2,4,4,6,6-hexakis-(5-hexenyl-1-oxy)cyclotriphosphazene
  参考文献：
  名称：

  Model Compounds Based on Cyclotriphosphazene and Hexaphenylbenzene with Tethered Li⁺-Solvents and Their Ion-Conducting Properties

  摘要：

  To improve the lithium ion conductivities of currently used electrolytes, it is critical to understand how the transport of the lithium ions within the matrix is influenced by their interactions with solvating moieties. Therefore, well-defined model compounds based on cyclotriphosphazene (CTP) and hexaphenylbenzene (HPB) cores were prepared, bearing side groups containing the structural element of ethylene carbonate, which is the common solvent for lithium salts used as electrolytes in Li-ion batteries. All model compounds were highly pure and thermally stable up to at least 250 degrees C, covering a broad range of glass transition temperatures from -79 degrees C up to +3.5 degrees C. The temperature-dependent ionic conductivities of the blends follow a William-Landel-Ferry (WLF) type behavior with the corresponding glass transition temperatures as reference. Though the glass transition temperatures of the blends are low, their conductivities are only in the range of typical polymer electrolytes, implying that the coordination between the cyclic carbonate functionality and the Li-ion is apparently too tight to allow for fast Li-ion dynamics.

  DOI：

  10.1021/cm103559d