11-(Pentakis-p-tolylethynyl-phenoxy)-undecanoic acid | 768383-86-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 11-(Pentakis-p-tolylethynyl-phenoxy)-undecanoic acid
• 英文别名: 11-[2,3,4,5,6-Pentakis[2-(4-methylphenyl)ethynyl]phenoxy]undecanoic acid；11-[2,3,4,5,6-pentakis[2-(4-methylphenyl)ethynyl]phenoxy]undecanoic acid
• CAS: 768383-86-4
• 化学式: C₆₂H₅₆O₃
• 分子量: 849.125
• InChiKey: RHPXYAVAQSTFHU-UHFFFAOYSA-N

物化性质

• 沸点：
  984.4±65.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  65
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 11-(Pentakis-p-tolylethynyl-phenoxy)-undecanoic acid 在 4-二甲氨基吡啶 、 对甲苯磺酸 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 Methyl 11-[2,3,4,5,6-pentakis[2-(4-methylphenyl)ethynyl]phenoxy]undecanoate
  参考文献：
  名称：

  Discotic Multipodes with Nematic Mesophases

  摘要：

  Various core materials have been. introduced at the terminal end of a discotic mesogen (based on a pentakis(methylphenylethynyl) phenoxy core), resulting in the formation of liquid crystalline 'monomers' and 'dimers.' The mesomorphic properties of this series of derivatives were investigated as a function of the attached core material. It is shown that the clearing temperatures of the mesogens are dependent on: (i) the fraction of rigid mesogen, (ii) the presence of any linkages between the mesogens and (iii) the presence of any H-bonding interactions. In some materials extra stabilisation, of the phase or, indeed, higher ordered mesophases were observed due to the end-group interactions. In addition, we report the investigations to prepare DAB-Am. based dendrimers.

  DOI：

  10.1080/15421400490435413
• 作为产物：
  描述：

  11-溴十一酸 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 哌啶 、 硫酸 、 potassium carbonate 、 三乙胺 、 三苯基膦 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 11-(Pentakis-p-tolylethynyl-phenoxy)-undecanoic acid
  参考文献：
  名称：

  Discotic Multipodes with Nematic Mesophases

  摘要：

  Various core materials have been. introduced at the terminal end of a discotic mesogen (based on a pentakis(methylphenylethynyl) phenoxy core), resulting in the formation of liquid crystalline 'monomers' and 'dimers.' The mesomorphic properties of this series of derivatives were investigated as a function of the attached core material. It is shown that the clearing temperatures of the mesogens are dependent on: (i) the fraction of rigid mesogen, (ii) the presence of any linkages between the mesogens and (iii) the presence of any H-bonding interactions. In some materials extra stabilisation, of the phase or, indeed, higher ordered mesophases were observed due to the end-group interactions. In addition, we report the investigations to prepare DAB-Am. based dendrimers.

  DOI：

  10.1080/15421400490435413

文献信息

• Local lamellar organisation of discotic mesogens carrying fluorinated tails
  作者：Paul H. J. Kouwer、Stephen J. Picken、Georg H. Mehl

  DOI：10.1039/b707880c

  日期：——

  A series of disc-shaped liquid crystals, monomers and dimers, have been investigated. A spacer linked to the pentakis(phenylethynyl)phenoxy core of the mesogens was substituted with perfluorinated chains to investigate the microphase segregating effect of such groups. The nematic phase, commonly found for these mesogens, is strongly stabilised by the presence of the fluorinated groups. X-Ray diffraction studies indicate clearly the onset of nanophase segregation in the nematic phase. Remarkable is the result, that the nanophase segregation directs the systems towards a lamellar organisation, rather than the columnar order that is commonly found for disc-shaped mesogens. This is also confirmed by the order in the underlying crystalline phase. X-Ray diffraction studies of the nematic phase show the characteristics of cybotactic smectic clustering, which has not been observed for discotic systems so far.

  对一系列圆盘状液晶、单体和二聚体进行了研究。用全氟链取代了与中间体的五(苯乙炔基)苯氧基核心相连的间隔物，以研究这些基团的微相分离效应。氟化基团的存在极大地稳定了这些介聚物常见的向列相。X 射线衍射研究清楚地表明，向列相中开始出现纳米相分离。值得注意的是，纳米相分离将系统引向了片状组织，而不是圆盘状介质中常见的柱状秩序。底层结晶相的有序性也证实了这一点。对向列相进行的 X 射线衍射研究显示了线状聚类的特征，这是迄今为止在盘状介质系统中尚未观察到的。
• Discotic Multipodes with Nematic Mesophases
  作者：Paul Kouwer、Georg Mehl、Stephen Picken

  DOI：10.1080/15421400490435413

  日期：2004.1

  Various core materials have been. introduced at the terminal end of a discotic mesogen (based on a pentakis(methylphenylethynyl) phenoxy core), resulting in the formation of liquid crystalline 'monomers' and 'dimers.' The mesomorphic properties of this series of derivatives were investigated as a function of the attached core material. It is shown that the clearing temperatures of the mesogens are dependent on: (i) the fraction of rigid mesogen, (ii) the presence of any linkages between the mesogens and (iii) the presence of any H-bonding interactions. In some materials extra stabilisation, of the phase or, indeed, higher ordered mesophases were observed due to the end-group interactions. In addition, we report the investigations to prepare DAB-Am. based dendrimers.