(((2,2-bis(((3,4-bis(hexadecyloxy)benzoyl)oxy)methyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(2,2,5-trimethyl-1,3-dioxane-5-carboxylate) | 1224737-26-1

• 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: (((2,2-bis(((3,4-bis(hexadecyloxy)benzoyl)oxy)methyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(2,2,5-trimethyl-1,3-dioxane-5-carboxylate)
• CAS: 1224737-26-1
• 化学式: C₉₃H₁₆₄O₁₆
• 分子量: 1538.32
• InChiKey: IBPVUTIHZMJCLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.2
• 重原子数：
  109.0
• 可旋转键数：
  80.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  223.04
• 氢给体数：
  4.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (((2,2-bis(((3,4-bis(hexadecyloxy)benzoyl)oxy)methyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(2,2,5-trimethyl-1,3-dioxane-5-carboxylate) 、 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 68.0h， 以89%的产率得到(((2,2-bis(((3,4-bis(hexadecyloxy)benzoyl)oxy)methyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(2,2,5-trimethyl-1,3-dioxane-5-carboxylate)
  参考文献：
  名称：

  Synthesis and thermal behavior of Janus dendrimers, part 1

  摘要：

  Eight Janus-type dendrimers up to the second generation were synthesized, and their thermal properties were evaluated. Compounds consist of the dendritic bisMPA based polyester moieties, and either 3,4-dihexyloxybenzoic acid or 3,4-dihexadecyloxybenzoic acid moieties, attached to opposite sides of the pentaerythritol core. The Structures of the molecules were verified with H-1 NMR, C-13 NMR, ESI TOF mass spectrometry and elemental analysis. The thermal stability was evaluated by thermogravimetric analysis. displaying onset decomposition temperatures (T-d) ranging from 241 to 308 degrees C. Phase transitions were studied by differential scanning calorimetry. Based on the performed studies it was confirmed that CH terminated dendrimers 2,4,6 and 8 exhibited liquid crystalline phases. Also, the X-ray powder diffraction measurements were accomplished for the dendrimers having terminal hydroxyl groups. (C) 2009 Elsevier B.V. All rights reserved

  DOI：

  10.1016/j.tca.2009.08.018
• 作为产物：
  描述：

  在 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以97%的产率得到(((2,2-bis(((3,4-bis(hexadecyloxy)benzoyl)oxy)methyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(2,2,5-trimethyl-1,3-dioxane-5-carboxylate)
  参考文献：
  名称：

  Synthesis and thermal behavior of Janus dendrimers, part 1

  摘要：

  Eight Janus-type dendrimers up to the second generation were synthesized, and their thermal properties were evaluated. Compounds consist of the dendritic bisMPA based polyester moieties, and either 3,4-dihexyloxybenzoic acid or 3,4-dihexadecyloxybenzoic acid moieties, attached to opposite sides of the pentaerythritol core. The Structures of the molecules were verified with H-1 NMR, C-13 NMR, ESI TOF mass spectrometry and elemental analysis. The thermal stability was evaluated by thermogravimetric analysis. displaying onset decomposition temperatures (T-d) ranging from 241 to 308 degrees C. Phase transitions were studied by differential scanning calorimetry. Based on the performed studies it was confirmed that CH terminated dendrimers 2,4,6 and 8 exhibited liquid crystalline phases. Also, the X-ray powder diffraction measurements were accomplished for the dendrimers having terminal hydroxyl groups. (C) 2009 Elsevier B.V. All rights reserved

  DOI：

  10.1016/j.tca.2009.08.018