((((methylazanediyl)bis(4,1-phenylene))bis(methaneylylidene))bis(azaneylylidene))bis(4,1-phenylene) bis(3,4,5-tris(decyloxy)benzoate) | 1268837-86-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: ((((methylazanediyl)bis(4,1-phenylene))bis(methaneylylidene))bis(azaneylylidene))bis(4,1-phenylene) bis(3,4,5-tris(decyloxy)benzoate)
• CAS: 1268837-86-0
• 化学式: C₆₇H₁₁₇NO₇
• 分子量: 1048.67
• InChiKey: PNICVUBSOWKDNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.73
• 重原子数：
  75.0
• 可旋转键数：
  57.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  97.13
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ((((methylazanediyl)bis(4,1-phenylene))bis(methaneylylidene))bis(azaneylylidene))bis(4,1-phenylene) bis(3,4,5-tris(decyloxy)benzoate) 在 palladium on carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 (4-Aminophenyl) 3,4,5-trioctadecoxybenzoate
  参考文献：
  名称：

  Columnar Liquid-Crystalline Phase from a Series of Symmetrical Bent Diphenylamine Derivatives: Synthesis and Characterization

  摘要：

  A series of symmetrical bent-shaped materials with six alkoxy chains at the terminal position has been designed and synthesized. All except one exhibit columnar mesophase behavior. The mesomorphic properties of the compounds have been studied with the help of polaralizing optical microscopy (POM) and differential scanning colorimetry (DSC) experiments.

  DOI：

  10.1080/15421400903568146
• 作为产物：
  描述：

  没食子酸乙酯 在 4-二甲氨基吡啶 、 氯化亚砜 、 乙醇 、 potassium carbonate 、 三乙胺 、 sodium iodide 、 potassium hydroxide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 9.0h， 生成 ((((methylazanediyl)bis(4,1-phenylene))bis(methaneylylidene))bis(azaneylylidene))bis(4,1-phenylene) bis(3,4,5-tris(decyloxy)benzoate)
  参考文献：
  名称：

  Columnar Liquid-Crystalline Phase from a Series of Symmetrical Bent Diphenylamine Derivatives: Synthesis and Characterization

  摘要：

  A series of symmetrical bent-shaped materials with six alkoxy chains at the terminal position has been designed and synthesized. All except one exhibit columnar mesophase behavior. The mesomorphic properties of the compounds have been studied with the help of polaralizing optical microscopy (POM) and differential scanning colorimetry (DSC) experiments.

  DOI：

  10.1080/15421400903568146