1-(4-羟基苯基)辛烷-1,3-二醇 | 915316-42-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1-(4-羟基苯基)辛烷-1,3-二醇
• 英文名称: 1-(4-hydroxyphenyl)octane-1,3-diol
• 英文别名: 1-(4-Hydroxyphenyl)octane-1,3-diol
• CAS: 915316-42-6
• 化学式: C₁₄H₂₂O₃
• 分子量: 238.327
• InChiKey: QAIOIKAOEDSVCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-propoxyphenyl)benzyl chloride 、 1-(4-羟基苯基)辛烷-1,3-二醇 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 以97%的产率得到1-[4-(4'-propoxybiphenyl-4-ylmethoxy)phenyl]octane-1,3-diol
  参考文献：
  名称：

  Synthesis of new liquid crystalline compounds with side chains containing hydroxy groups or chlorine atom

  摘要：

  Catalytic hydrogenation of the oxo group in 3-hydroxy-1-(4-hydroxyphenyl)octan-1-one gave 1-(4-hydroxyphenyl)octane-1.3-diol and 1-(4-hydroxyphenyl)octan-3-ol which were converted into the corresponding benzyl ethers containing a hydroxy group, 1.3-diol fragment, or chlorine atom in the side chain. The products were shown to possess liquid crystalline properties.

  DOI：

  10.1134/s1070428006030067
• 作为产物：
  描述：

  4-[(E)-(羟基亚胺)甲基]苯酚 在 镍 N-氯代丁二酰亚胺 、 氢气 、 硼酸 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 8.5h， 生成 1-(4-羟基苯基)辛烷-1,3-二醇
  参考文献：
  名称：

  Synthesis of new liquid crystalline compounds with side chains containing hydroxy groups or chlorine atom

  摘要：

  Catalytic hydrogenation of the oxo group in 3-hydroxy-1-(4-hydroxyphenyl)octan-1-one gave 1-(4-hydroxyphenyl)octane-1.3-diol and 1-(4-hydroxyphenyl)octan-3-ol which were converted into the corresponding benzyl ethers containing a hydroxy group, 1.3-diol fragment, or chlorine atom in the side chain. The products were shown to possess liquid crystalline properties.

  DOI：

  10.1134/s1070428006030067

文献信息

• Synthesis of new liquid crystalline compounds with side chains containing hydroxy groups or chlorine atom
  作者：V. N. Kovganko、N. N. Kovganko

  DOI：10.1134/s1070428006030067

  日期：2006.3

  Catalytic hydrogenation of the oxo group in 3-hydroxy-1-(4-hydroxyphenyl)octan-1-one gave 1-(4-hydroxyphenyl)octane-1.3-diol and 1-(4-hydroxyphenyl)octan-3-ol which were converted into the corresponding benzyl ethers containing a hydroxy group, 1.3-diol fragment, or chlorine atom in the side chain. The products were shown to possess liquid crystalline properties.