8-[3,5-Bis(8-hydroxyoctyl)-2,4,6-trioctylphenyl]octan-1-ol | 133012-64-3

• 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: 8-[3,5-Bis(8-hydroxyoctyl)-2,4,6-trioctylphenyl]octan-1-ol
• CAS: 133012-64-3
• 化学式: C₅₄H₁₀₂O₃
• 分子量: 799.402
• InChiKey: HPDRBMNJHUXGSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  57
• 可旋转键数：
  45
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  十八碳-9-炔-1-醇 在 palladium on activated charcoal 三甲基氯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以60.5%的产率得到8-[3,4-bis(8-hydroxyoctyl)-2,5,6-trioctylphenyl]octan-1-ol
  参考文献：
  名称：

  Synthesis of aromatic triols and triacids from oleic and erucic acid: separation and characterization of the asymmetric and symmetric isomers

  摘要：

  Hexasubstituted benzene derivatives, aromatic triols 4, 9 and triacids 5, 10 have been synthesized front oleic and erucic acid derivatives followed by a cyclotrimerization step catalyzed by palladiuni-on-carbon (Pd/C) and chlorotrimethylsilane (TMSCI). The asymmetric isomer, which is the main product, was isolated from its symmetric isomer by flash chromatography. All the products were fully characterized by FIR, H-1 NMR, C-13 NMR and mass spectrornetry. The products are suitable monomers for the production of polyurethanes, polyesters and polyamides. (c) 2007 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2007.11.002