6-Hydroxyhexyl 4-hydroxybenzoate | 62702-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-Hydroxyhexyl 4-hydroxybenzoate
• 英文别名: 4-hydroxy-benzoic acid-(6-hydroxy-hexyl ester)；4-Hydroxy-benzoesaeure-(6-hydroxy-hexylester)；6-hydroxyhexyl 4-hydroxybenzoate
• CAS: 62702-43-6
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: KCOCIPSMXWEAME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Hydroxyhexyl 4-hydroxybenzoate 、 4,4′-hexylenedioxydibenzoyl chloride 在 sodium hydroxide 、 苄基三丁基溴化铵 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 1,6-Hexamethylene di<4-(6-hydroxyhexyloxy-4-oxybenzoyl)oxybenzoate>
  参考文献：
  名称：

  Synthesis and Liquid Crystalline Properties of New Thermotropic Polyurethanes

  摘要：

  The synthesis and liquid crystal behavior of new thermotropic polyurethanes derived from different mesogenic diols, alkylene di[4-(omega-hydroxyalkyloxy-4-oxybenzoyl)oxybenzoate]s, and 2,4-toluenediiso-cyanate are reported. Depending upon the chemical structure of the repeat unit, the polyurethanes formed either one or two mesophases extending over a fairly broad (>60 K) and accessible range of temperature (T-i < 430 K). A cybotactic nematic mesophase was identified in each polyurethane sample.

  DOI：

  10.1080/10587259408037766
• 作为产物：
  描述：

  4-Ethoxycarbonyloxybenzoyl chloride 在 sodium hydroxide 、 1,2-二氯乙烷 作用下， 生成 6-Hydroxyhexyl 4-hydroxybenzoate
  参考文献：
  名称：

  Wilkinson et al., Biochemical Journal, 1953, vol. 54, p. 16,18

  摘要：

  DOI：

文献信息

• Wilkinson et al., Biochemical Journal, 1953, vol. 54, p. 16,18
  作者：Wilkinson et al.

  DOI：——

  日期：——
• Synthesis and Liquid Crystalline Properties of New Thermotropic Polyurethanes
  作者：Emo Chiellini、Giancarlo Galli、Stefano Trusendi、Sante A. Angeloni、Michele Laus、Oriano Francescangeli

  DOI：10.1080/10587259408037766

  日期：1994.3

  The synthesis and liquid crystal behavior of new thermotropic polyurethanes derived from different mesogenic diols, alkylene di[4-(omega-hydroxyalkyloxy-4-oxybenzoyl)oxybenzoate]s, and 2,4-toluenediiso-cyanate are reported. Depending upon the chemical structure of the repeat unit, the polyurethanes formed either one or two mesophases extending over a fairly broad (>60 K) and accessible range of temperature (T-i < 430 K). A cybotactic nematic mesophase was identified in each polyurethane sample.