1-(4-hydroxyphenyl)-3-hydroxyoctan-1-one | 848478-61-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-hydroxyphenyl)-3-hydroxyoctan-1-one
• 英文别名: 3-hydroxy-1-(4-hydroxyphenyl)-1-octanone；3-Hydroxy-1-(4-hydroxyphenyl)octan-1-one
• CAS: 848478-61-5
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: AOVINOFKTJBJLM-UHFFFAOYSA-N

物化性质

• 熔点：
  76.5-77.5 °C(Solv: toluene (108-88-3); ligroine (8032-32-4))
• 沸点：
  414.7±25.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxyphenyl)-3-hydroxyoctan-1-one 在 镍 氢气 、 potassium carbonate 、 sodium iodide 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 8.5h， 生成 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：

  1-庚烯 在 镍 氢气 、 硼酸 作用下， 以 甲醇 、 水 为溶剂， 生成 1-(4-hydroxyphenyl)-3-hydroxyoctan-1-one
  参考文献：
  名称：

  Synthesis of Substituted Benzyl Ethers of 1-(4-Hydroxyphenyl)oct-2-en-1-one

  摘要：

  本研究首次开发了一种从 3-(4-羟基苯基)-5-戊基-2-异噁唑啉制备 1-(4-羟基苯基)辛-2-烯-1-酮的取代苄基醚的方法。这些醚类可作为有前途的添加剂和有用的中间体，用于合成含氟液晶。

  DOI：

  10.1007/s11178-005-0309-5

文献信息

• Synthesis of new liquid crystalline compounds containing a ?-hydroxyketone fragment in the side chain
  作者：V. S. Bezborodov、V. N. Kovganko

  DOI：10.1007/s11178-005-0009-1

  日期：2004.9

  Liquid crystalline benzoates with a smectic meso phase were synthesized on the basis of 3-hydroxy-1-(4-hydroxyphenyl)-1-octanone by esterification of 4-alkoxybenzoic acids.

  以 3-羟基-1-(4-羟基苯基)-1-辛酮为基础，通过 4-烷氧基苯甲酸的酯化反应合成了具有网状中相的液晶苯甲酸盐。
• Synthesis of new liquid crystalline compounds containing an ?,?-unsaturated ketone and ?-chloroketone groups in the side chain
  作者：V. N. Kovganko、N. N. Kovganko、V. S. Bezborodov

  DOI：10.1007/s11178-005-0044-y

  日期：2004.10

  A number of new liquid crystalline compounds containing an α,β-unsaturated ketone or β-chloro ketone moiety in the side chain were synthesized. The key intermediates in the synthesis were 1-(4-hydroxy-phenyl)-2-octen-1-one and 3-chloro-1-(4-hydroxyphenyl)octan-1-one which were prepared from 5-(4-hydroxy-phenyl)-3-pentyl-4,5-dihydroisoxazole and 3-hydroxy-1-(4-hydroxyphenyl)octan-1-one, respectively.

  我们合成了一些新的液晶化合物，其侧链中含有α、β-不饱和酮或β-氯酮分子。合成的关键中间体是 1-(4-羟基苯基)-2-辛烯-1-酮和 3-氯-1-(4-羟基苯基)辛烷-1-酮，它们分别由 5-(4-羟基苯基)-3-戊基-4,5-二氢异噁唑和 3-羟基-1-(4-羟基苯基)辛烷-1-酮制备而成。
• 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.
• Synthesis of Substituted Benzyl Ethers of 1-(4-Hydroxyphenyl)oct-2-en-1-one
  作者：V.N. Kovganko、N.N. Kovganko

  DOI：10.1007/s11178-005-0309-5

  日期：2005.8

  A preparation of substituted benzyl ethers of 1-(4-hydroxyphenyl)oct-2-en-1-one from 3-(4-hydroxy-phenyl)-5-pentyl--2-isoxazoline was developed for the first time. These ethers can be used as promising additives and useful intermediates for synthesis of fluorine-containing liquid crystals.

  本研究首次开发了一种从 3-(4-羟基苯基)-5-戊基-2-异噁唑啉制备 1-(4-羟基苯基)辛-2-烯-1-酮的取代苄基醚的方法。这些醚类可作为有前途的添加剂和有用的中间体，用于合成含氟液晶。