4-(4'-dodecyloxy-1,1'-biphenyl-4-yl)oxybutane-1-sulfonic acid | 915313-31-4

• 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: 4-(4'-dodecyloxy-1,1'-biphenyl-4-yl)oxybutane-1-sulfonic acid
• 英文别名: 4-{[4'-(Dodecyloxy)[1,1'-biphenyl]-4-yl]oxy}butane-1-sulfonic acid；4-[4-(4-dodecoxyphenyl)phenoxy]butane-1-sulfonic acid
• CAS: 915313-31-4
• 化学式: C₂₈H₄₂O₅S
• 分子量: 490.704
• InChiKey: WDFMBDSCMOIVOB-UHFFFAOYSA-N

物化性质

• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  34
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴代十二烷 在 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-(4'-dodecyloxy-1,1'-biphenyl-4-yl)oxybutane-1-sulfonic acid
  参考文献：
  名称：

  New Liquid Crystal Materials with a Terminal Alkyl Sulfonic Acid Unit

  摘要：

  New liquid crystal materials with a terminal alkyl sulfonic acid group were synthesized. The mesomorphic behavior of these compounds was evaluated. These compounds generate the SmA phase, and in the SmA phase, the molecules seem to be able to transport protons. At the temperature of the smectic phase, the proton current increased sharply. The proton transport ability increases about 700 times by forming a smectic molecular order.

  DOI：

  10.1080/154214091002326

文献信息

• Syntheses, characterizations and electrochemical properties of mesomorphic 4-(4′-alkoxy-(1,1′-biphenyl)-4-oxy)butane-1-sulfonic acids
  作者：Shuai Tan、Caihong Wang、Ting Liang、Weixing Huang、Yong Wu

  DOI：10.1016/j.molstruc.2013.04.037

  日期：2013.8

  Biphenyl based sulfonic acid derivatives have been synthesized for anhydrous proton conduction. The terminal sulfonic acid moiety was attached to a biphenyl core by ring-opening reaction of 1,4-butane sultone. The target compounds exhibited smectic phases in a temperature range of 180-220 degrees C. Polarizing optical microscopic observation and temperature dependent X-ray diffraction measurements suggested that sulfonic acid moieties formed a head-to-head configuration in the smectic assemblies. The mesomorphic sulfonic acid derivatives formed lamellar proton conducting pathways and the anhydrous proton conductivities determined by electrochemical impedance spectroscopy showed Arrhenius temperature dependence in the smectic phase. (C) 2013 Elsevier B.V. All rights reserved.