methyl 4-(dodecyloxy)-3,5-bis(undec-10-en-1-yloxy)benzoate | 1261146-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(dodecyloxy)-3,5-bis(undec-10-en-1-yloxy)benzoate
• CAS: 1261146-57-9
• 化学式: C₄₂H₇₂O₅
• 分子量: 657.031
• InChiKey: WDHQSKRFQXGJKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.14
• 重原子数：
  47.0
• 可旋转键数：
  35.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  methyl 4-(dodecyloxy)-3,5-bis(undec-10-en-1-yloxy)benzoate 在 lithium aluminium tetrahydride 、 氯化亚砜 、 双氧水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲基叔丁基醚 、 水 为溶剂， 反应 35.17h， 生成 N-(4-(dodecyloxy)-3,5-bis((11-hydroxyundecyl)oxy)benzyl)-N,N-diethylethanaminium chloride
  参考文献：
  名称：

  3D Interconnected Ionic Nano-Channels Formed in Polymer Films: Self-Organization and Polymerization of Thermotropic Bicontinuous Cubic Liquid Crystals

  摘要：

  Thermotropic bicontinuous cubic (Cub(bi)) liquid-crystalline (LC) compounds based on a polymerizable ammonium moiety complexed with a lithium salt have been designed to obtain lithium ion-conductive all solid polymeric films having 3D interconnected ionic channels. The monomer shows a Cub(bi) phase from -5 to 19 degrees C on heating. The complexes retain the ability to form the Cub(bi) LC phase. They also form hexagonal columnar (Col(h)) LC phases at temperatures higher than those of the Cub(bi) phases. The complex of the monomer and LiBF4 at the molar ratio of 4: 1 exhibits the Cub(bi) and Col(h) phases between -6 to 19 degrees C and 19 to 56 degrees C, respectively, on heating. The Cub(bi) LC structure formed by the complex has been successfully preserved by in situ photopolymerization through UV irradiation in the presence of a photoinitiator. The resultant nanostructured film is optically transparent and free-standing. The X-ray analysis of the film confirms the preservation of the self-assembled nanostructure. The polymer film with the Cub(bi) LC nanostructure exhibits higher ionic conductivities than the polymer films obtained by photopolymerization of the complex in the Col(h) and isotropic phases. It is found that the 3D interconnected ionic channels derived from the Cub(bi) phase function as efficient ion-conductive pathways.

  DOI：

  10.1021/ja106707z
• 作为产物：
  描述：

  1-iodo-10-undecene 、 methyl 4-dodecyloxy-3,5-dihydroxybenzoate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以92%的产率得到methyl 4-(dodecyloxy)-3,5-bis(undec-10-en-1-yloxy)benzoate
  参考文献：
  名称：

  3D Interconnected Ionic Nano-Channels Formed in Polymer Films: Self-Organization and Polymerization of Thermotropic Bicontinuous Cubic Liquid Crystals

  摘要：

  Thermotropic bicontinuous cubic (Cub(bi)) liquid-crystalline (LC) compounds based on a polymerizable ammonium moiety complexed with a lithium salt have been designed to obtain lithium ion-conductive all solid polymeric films having 3D interconnected ionic channels. The monomer shows a Cub(bi) phase from -5 to 19 degrees C on heating. The complexes retain the ability to form the Cub(bi) LC phase. They also form hexagonal columnar (Col(h)) LC phases at temperatures higher than those of the Cub(bi) phases. The complex of the monomer and LiBF4 at the molar ratio of 4: 1 exhibits the Cub(bi) and Col(h) phases between -6 to 19 degrees C and 19 to 56 degrees C, respectively, on heating. The Cub(bi) LC structure formed by the complex has been successfully preserved by in situ photopolymerization through UV irradiation in the presence of a photoinitiator. The resultant nanostructured film is optically transparent and free-standing. The X-ray analysis of the film confirms the preservation of the self-assembled nanostructure. The polymer film with the Cub(bi) LC nanostructure exhibits higher ionic conductivities than the polymer films obtained by photopolymerization of the complex in the Col(h) and isotropic phases. It is found that the 3D interconnected ionic channels derived from the Cub(bi) phase function as efficient ion-conductive pathways.

  DOI：

  10.1021/ja106707z