4-[(4'-tetradecyloxybenzoyl)sulfanyl]benzoic acid | 404012-00-6

• 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: 4-[(4'-tetradecyloxybenzoyl)sulfanyl]benzoic acid
• 英文别名: 4-(4-tetradecoxybenzoyl)sulfanylbenzoic acid
• CAS: 404012-00-6
• 化学式: C₂₈H₃₈O₄S
• 分子量: 470.673
• InChiKey: DSDYRHTVZTUTQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  33.0
• 可旋转键数：
  17.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[(4'-tetradecyloxybenzoyl)sulfanyl]benzoic acid 在 吡啶 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 生成 1,3-phenylene bis{4-[(4-tetradecyloxybenzoyl)sulfanyl]benzoate}
  参考文献：
  名称：

  Dielectric Spectroscopy of Bent-Core Thioesters' B Phases

  摘要：

  Banana-shaped homologoues 1,3-phenylene bis{4-[(4-alkoxybenzoyl) sulfanyl]benzoate}, in short nOSOR, where n denotes the number of carbon atoms in the end chains, have been studied using dielectric and electrooptic methods. 9OSOR shows a ferroelectric B-1 phase, whereas 12OSOR, 14OSOR exhibit antiferroelectric B-2 phase. Dielectric spectra have been measured for two alignments of B-2 phase. In the low frequency range a broad collective relaxation process is observed under bias field. This process is connected with fluctuations of ferroelectric domains. The high frequency relaxation originates from molecular reorientation around the long axis.

  DOI：

  10.1080/15421406.2011.569249
• 作为产物：
  描述：

  4-N-十四氧基苯甲酸 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-[(4'-tetradecyloxybenzoyl)sulfanyl]benzoic acid
  参考文献：
  名称：

  摘要：

  A new series of achiral banana-shaped compounds ("S-n'') has been synthesised and studied by the classical techniques (optical microscopy, differential scanning calorimetry, X-ray diffraction and electro-optic investigations). The short homologues (S-6,S-7) present an intercalated smectic B6 and a two-dimensional B1 phase. The intermediate S-8-S-10 compounds only form a B1 phase while the mesophase of long homologues (S-11-S-16) is identified as a switchable smectic B2 mesophase.

  DOI：

  10.1039/b103143k