11-(4-((4-(((3'-((4-((4-(tetradecyloxy)benzoyl)oxy)benzoyl)oxy)-[1,1'-biphenyl]-4-yl)oxy)carbonyl)phenoxy)carbonyl)phenoxy)undecanoic acid | 1189850-93-8

• 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: 11-(4-((4-(((3'-((4-((4-(tetradecyloxy)benzoyl)oxy)benzoyl)oxy)-[1,1'-biphenyl]-4-yl)oxy)carbonyl)phenoxy)carbonyl)phenoxy)undecanoic acid
• CAS: 1189850-93-8
• 化学式: C₆₅H₇₄O₁₂
• 分子量: 1047.3
• InChiKey: PPARCTINMZJGLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.28
• 重原子数：
  77.0
• 可旋转键数：
  35.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  160.96
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  11-(4-((4-(((3'-((4-((4-(tetradecyloxy)benzoyl)oxy)benzoyl)oxy)-[1,1'-biphenyl]-4-yl)oxy)carbonyl)phenoxy)carbonyl)phenoxy)undecanoic acid 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以47%的产率得到[4-[4-[3-[4-(4-Tetradecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 4-[11-[4-[11-[4-(4-cyanophenyl)phenoxy]undecanoyloxy]phenoxy]-11-oxoundecoxy]benzoate
  参考文献：
  名称：

  Bent-rod liquid crystal dimers: synthesis and mesomorphic properties

  摘要：

  弯曲棒二聚体的中胚层结构非常依赖于间隔物和棒芯的结构。

  DOI：

  10.1039/c4tc00212a

文献信息

• Janus-Type Dendromesogens: A Tool to Control the Nanosegregation and Polar Organization of Bent-Core Structures
  作者：Nélida Gimeno、Jorge Vergara、Miguel Cano、José Luis Serrano、M. Blanca Ros、Josu Ortega、César L. Folcia、Sofía Rodríguez-Conde、Gerardo Sanz-Enguita、Jesús Etxebarria

  DOI：10.1021/cm302144f

  日期：2013.2.12

  Several first- or second-generation Janus-type codendrimers that combine promesogenic bent-core and rodlike molecular segments have been synthesized by the versatile CuAAC reaction and the materials have been characterized by POM, DSC, XRD, and SHG studies. Depending on the ratio between the number of rod- and bent-core units, these compounds form mesophases ranging from nematic to a complex polar smectic mesophase in which the two types of mesogenic moieties are segregated on a nanometric scale. In the case of a 1:1 bent/rod ratio, the materials form ferroelectric mesophases and the macroscopic polarization is stable in the absence of an applied electric field. The appearance of the different mesophases is explained in terms of the relative values of the transverse areas of the mesogenic cores.