1-[2'-(2''-methoxyethoxy)ethyl]-3-(10'''-carboxydecyl)imidazolium Tf2N- | 1253199-83-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-[2'-(2''-methoxyethoxy)ethyl]-3-(10'''-carboxydecyl)imidazolium Tf2N-
• CAS: 1253199-83-5
• 化学式: C₂F₆NO₄S₂*C₁₉H₃₅N₂O₄
• 分子量: 635.647
• InChiKey: UTIWCVUGHDXQFM-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  40.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  146.95
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1-[2'-(2''-methoxyethoxy)ethyl]-3-(10'''-carboxydecyl)imidazolium Tf2N- 在 氯化亚砜 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 1-{ω-[1'''-(4'''-acryloyloxy)butoxy]carbonylpentyl}-3-[2'-(2''-methoxyethoxy)ethyl]imidazolium Tf2N-
  参考文献：
  名称：

  Ion Conduction in Imidazolium Acrylate Ionic Liquids and their Polymers

  摘要：

  Polymerizable imidazolium acrylates and their polymers with pendant imidazolium cations were synthesized with hexafluorophosphate and bis(trifluoromethanesulfonyl)imide counterions and characterized using calorimetry and dielectric spectroscopy. The ionic polymers containing a diethyleneoxy unit as an N-substituent on the imidazolium cation display higher ionic conductivities than the analogous N-n-butyl polymers. Using a physical model of electrode polarization, we separate the conductivity of single-ion conductors into number density of conducting ions p and their mobility mu. The monomers invariably possess higher conducting ion number density than the polymers, owing to the cation being part of the polymer, but p is insensitive to the N-substituent. In contrast, the diethyleneoxy N-substituent imparts higher mobility than the n-butyl N-substituent, for both monomers and polymers, owing to a lower binding energy between the imidazolium and the counteranions, which is not directly reflected in glass transition temperatures.

  DOI：

  10.1021/cm101407d
• 作为产物：
  描述：

  在 bis(trifluoromethane)sulfonimide lithium 作用下， 以 水 为溶剂， 反应 24.0h， 以18.22 g的产率得到1-[2'-(2''-methoxyethoxy)ethyl]-3-(10'''-carboxydecyl)imidazolium Tf2N-
  参考文献：
  名称：

  Ion Conduction in Imidazolium Acrylate Ionic Liquids and their Polymers

  摘要：

  Polymerizable imidazolium acrylates and their polymers with pendant imidazolium cations were synthesized with hexafluorophosphate and bis(trifluoromethanesulfonyl)imide counterions and characterized using calorimetry and dielectric spectroscopy. The ionic polymers containing a diethyleneoxy unit as an N-substituent on the imidazolium cation display higher ionic conductivities than the analogous N-n-butyl polymers. Using a physical model of electrode polarization, we separate the conductivity of single-ion conductors into number density of conducting ions p and their mobility mu. The monomers invariably possess higher conducting ion number density than the polymers, owing to the cation being part of the polymer, but p is insensitive to the N-substituent. In contrast, the diethyleneoxy N-substituent imparts higher mobility than the n-butyl N-substituent, for both monomers and polymers, owing to a lower binding energy between the imidazolium and the counteranions, which is not directly reflected in glass transition temperatures.

  DOI：

  10.1021/cm101407d