3-[3,4-bis(dodecyl-1-oxy)phenyl]propionic acid | 883196-30-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[3,4-bis(dodecyl-1-oxy)phenyl]propionic acid
• 英文别名: 3-(3,4-didodecoxyphenyl)propanoic acid
• CAS: 883196-30-3
• 化学式: C₃₃H₅₈O₄
• 分子量: 518.821
• InChiKey: KECORQZSTRVSFF-UHFFFAOYSA-N

物化性质

• 沸点：
  611.5±40.0 °C(Predicted)
• 密度：
  1.00 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  37.0
• 可旋转键数：
  27.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-[3,4-bis(dodecyl-1-oxy)phenyl]propionic acid 在 PPA 作用下， 生成
  参考文献：
  名称：

  Hexaalkoxytruxenes, A New Series of Disc-Like Mesogens†;

  摘要：

  DOI：

  10.1080/00268948408078675
• 作为产物：
  描述：

  3,4-二(苄氧基)苄醇 在 palladium on activated charcoal 吗啉 、 氢氧化钾 、 氢气 、 potassium carbonate 、 对甲苯磺酸 、 溶剂黄146 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 3-[3,4-bis(dodecyl-1-oxy)phenyl]propionic acid
  参考文献：
  名称：

  Synthesis and Retrostructural Analysis of Libraries of AB₃ and Constitutional Isomeric AB₂ Phenylpropyl Ether-Based Supramolecular Dendrimers

  摘要：

  We report the synthesis of methyl esters of 3-(4-hydroxyphenyl)propionic, 3-(3,4-dihydroxyphenyl)propionic, 3-(3,5-dihydroxyphenyl)propionic, and 3-(3,4,5-trihydroxyphenyl)propionic acids and their use in a convergent iterative strategy to prepare up to four generations of three libraries, one of 3,4,5- and two of constitutional isomeric 3,4- and 35-substituted 3-phenylpropyl dendrons. Each library contains 3-[3,4,5-tris(dodecyl-1-oxy)phenyl]propyl-, 3-[3,4-bis(dodecyl-1-oxy)phenyl]propyl-, 3,4-bis[3-(4-dodecyl-1-oxyphenyl)propyl-1-oxy]phenyl-1-propyl-, and 3-13,4,5-tris[3-(4-dodecyl-1-oxyphenyl)propyl-1-oxy]phenyllpropyI ether first-generation clendrons on their periphery and -CO2CH3, -COOH, and -CH2OH groups at their apex. Regardless of their generation number and their periphery, internal, and apex structures, these dendrons self-assemble into supramolecular dendrimers that self-organize into all periodic and quasi-periodic assemblies encountered previously and in several unencountered with architecturally related benzyl ether-based supramolecular dendrimers. A variety of porous columnar lattices that were previously obtained only from clendritic dipepticles and hollow supramolecular spheres were also discovered from these building blocks. The more flexible and less compact 3-phenylpropyl ether repeat units are stable under acidic conditions, facilitate a simpler synthetic strategy, provide faster dynamics of self-assembly into higher-order supramolecular structures of larger dimensions, exhibit lower transition temperatures than the corresponding benzyl ether homologues, and demonstrate the generality of the self-assembly concept based on amphiphilic dendrons.

  DOI：

  10.1021/ja060062a