3,4,5-Tris-dodecyloxy-benzoic acid 4-{3-[4-(3,4-bis-dodecyloxy-benzoyloxy)-benzoyloxy]-5-hydroxy-phenoxycarbonyl}-phenyl ester | 768387-14-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 3,4,5-Tris-dodecyloxy-benzoic acid 4-{3-[4-(3,4-bis-dodecyloxy-benzoyloxy)-benzoyloxy]-5-hydroxy-phenoxycarbonyl}-phenyl ester
• CAS: 768387-14-0
• 化学式: C₉₄H₁₄₂O₁₄
• 分子量: 1496.15
• InChiKey: DOUATEZHYLZFFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.77
• 重原子数：
  108.0
• 可旋转键数：
  68.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  171.58
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  4-(4-dodecyloxybenzoyloxy)benzoic acid 、 3,4,5-Tris-dodecyloxy-benzoic acid 4-{3-[4-(3,4-bis-dodecyloxy-benzoyloxy)-benzoyloxy]-5-hydroxy-phenoxycarbonyl}-phenyl ester 在 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  New Star-shaped Mesogens with Three Different Arms on a 1,3,5-Benzene Core

  摘要：

  The convergent synthesis of new symmetrical and non-symmetrical star-shaped mesogens based on a phloroglucinol core is presented. Molecules with three different arms were derived. via esterification, of various 4-benzoyl-benzoic acid derivatives, substituted with polar groups and n alkoxy chains (n = 1-3), by using a combination of protecting group techniques and stoichiometric reactions. The thermotropic properties were investigated by differential scanning calorimetry, polarised optical microscopy and synchrotron X-ray diffraction. It is found that molecules with more than. seven lateral chains form mesophases. The presence of strong polar groups (-NO2) enlarges the temperature range of the liquid crystal phase. For all studied materials the diffractograms can. be indexed according to a two-dimensional hexagonal lattice. The lattice parameters indicate that the flexible chains are interdigitated.

  DOI：

  10.1080/15421400490435422
• 作为产物：
  描述：

  4'-[3,4-bis(dodecyloxy)benzoyloxy]benzoic acid 、 3,4,5-Tris-dodecyloxy-benzoic acid 4-(3,5-dihydroxy-phenoxycarbonyl)-phenyl ester 在 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 二氯甲烷 为溶剂， 生成 3,4,5-Tris-dodecyloxy-benzoic acid 4-{3-[4-(3,4-bis-dodecyloxy-benzoyloxy)-benzoyloxy]-5-hydroxy-phenoxycarbonyl}-phenyl ester 、 [4-[3,5-Bis[[4-(3,4-didodecoxybenzoyl)oxybenzoyl]oxy]phenoxy]carbonylphenyl] 3,4,5-tridodecoxybenzoate
  参考文献：
  名称：

  New Star-shaped Mesogens with Three Different Arms on a 1,3,5-Benzene Core

  摘要：

  The convergent synthesis of new symmetrical and non-symmetrical star-shaped mesogens based on a phloroglucinol core is presented. Molecules with three different arms were derived. via esterification, of various 4-benzoyl-benzoic acid derivatives, substituted with polar groups and n alkoxy chains (n = 1-3), by using a combination of protecting group techniques and stoichiometric reactions. The thermotropic properties were investigated by differential scanning calorimetry, polarised optical microscopy and synchrotron X-ray diffraction. It is found that molecules with more than. seven lateral chains form mesophases. The presence of strong polar groups (-NO2) enlarges the temperature range of the liquid crystal phase. For all studied materials the diffractograms can. be indexed according to a two-dimensional hexagonal lattice. The lattice parameters indicate that the flexible chains are interdigitated.

  DOI：

  10.1080/15421400490435422