11-[pentakis(4-methoxyphenylethynyl)phenoxy]undecan-1-ol | 364358-07-6

• 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(4-methoxyphenylethynyl)phenoxy]undecan-1-ol
• 英文别名: 11-[2,3,4,5,6-pentakis(2-(4-methoxyphenyl)ethynyl)phenoxy]undecan-1-ol；11-{Pentakis[(4-methoxyphenyl)ethynyl]phenoxy}undecan-1-ol；11-[2,3,4,5,6-pentakis[2-(4-methoxyphenyl)ethynyl]phenoxy]undecan-1-ol
• CAS: 364358-07-6
• 化学式: C₆₂H₅₈O₇
• 分子量: 915.138
• InChiKey: WOISGADVUVZPEH-UHFFFAOYSA-N

物化性质

• 沸点：
  1016.7±65.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  69
• 可旋转键数：
  27
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  辛酸 、 11-[pentakis(4-methoxyphenylethynyl)phenoxy]undecan-1-ol 在 4-二甲氨基吡啶 、 碳酸二异丙酯 作用下， 以 二氯甲烷 为溶剂， 反应 240.0h， 以74.9%的产率得到11-(2,3,4,5,6-pentakis-(2-(4-methoxyphenyl)ethynyl)phenoxy)undecyl octanoate
  参考文献：
  名称：

  Completely miscible disc and rod shaped molecules in the nematic phase

  摘要：

  合成了圆盘状与棒状分子在向列相中完全混溶的物质，并通过偏光显微镜（POM）、差示扫描量热法（DSC）和X射线衍射（XRD）研究，对其混溶行为进行了调查和验证。

  DOI：

  10.1039/b512120e
• 作为产物：
  描述：

  11-溴-1-十一醇 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 potassium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 丁酮 为溶剂， 生成 11-[pentakis(4-methoxyphenylethynyl)phenoxy]undecan-1-ol
  参考文献：
  名称：

  Investigation of the Complete Miscibility of Disc-rod Mesogens in the Nematic Phase

  摘要：

  The synthesis and the phase behaviour of nematic dimers, built up from rod and disc shaped mesogens, separated by extended spacers is described. Miscibility studies with the rod as well as disc shaped mesogens were performed and OPM data of contact samples and the results of detailed DSC experiments of mixtures are presented. Full miscibility in the nematic phase was observed.

  DOI：

  10.1080/15421400600582523

文献信息

• Charge Transfer Complexes of Discotic Liquid Crystals:  A Flexible Route to a Wide Variety of Mesophases
  作者：Paul H. J. Kouwer、Wolter F. Jager、Wim J. Mijs、Stephen J. Picken

  DOI：10.1021/ma0118567

  日期：2002.5.21

  We have prepared a new discotic nematogen, bearing one functional tail and five methoxy substituents. The corresponding side chain polymers, prepared via a polymer analogous esterification reaction, exhibited ND phases from 50 °C until degradation above 200 °C. Addition of equimolar amounts of various trinitrofluorenone-based acceptors to the mesogen resulted in the formation of charge transfer complexes

  我们准备了一种新的盘状线虫致病菌，它带有一个功能性尾巴和五个甲氧基取代基。通过聚合物类似的酯化反应制备的相应的侧链聚合物显示出从50℃直至高于200℃降解的N D相。向液晶元中加入等摩尔量的各种基于三硝基芴酮的受体，导致形成具有多种液晶性质的电荷转移络合物。取决于受体，诱导出不同的柱状和向列相，包括最近发现的向列侧相。用差示扫描量热法，光学偏振显微镜和广泛的X射线衍射（XRD）研究了液晶性质。
• Mixtures of disc-shaped and rod-shaped mesogens with chiral components
  作者：Paul H. J. Kouwer、Chris J. Welch、Graeme McRobbie、Ben J. Dodds、Lee Priest、Georg H. Mehl

  DOI：10.1039/b314342b

  日期：——

  A novel mesogen has been synthesised, that not only combines two one disc-shaped and rod-shaped mesogens, but also includes a chiral group in the centre of the molecule. A protection and selective deprotection procedure allows the introduction of the chiral group in the central linking group of the mesogen. However, using this versatile procedure, a variety of other groups can be introduced selectively into the mesogen. The chiral group induces the formation of a cholesteric phase. Interestingly, the N* mesophase is miscible with the nematic phases of the precursor discs and rods. This study provides further evidence for the miscibility of discs and rods in a (chiral) nematic phase.

  合成了一种新型介质，它不仅结合了两种碟形和棒形介质，还在分子的中心包含一个手性基团。通过保护和选择性去保护程序，可以将手性基团引入介质的中央连接基团中。然而，使用这种多功能程序，可以选择性地将多种其他基团引入介质中。手性基团诱导了胆甾相的形成。有趣的是，N*介相与前驱体碟形和棒形的向列相具有可混溶性。这项研究进一步证实了碟形和棒形在（手性）向列相中的可混溶性。
• Hierarchical organisation in shape-amphiphilic liquid crystals
  作者：Paul H. J. Kouwer、Georg H. Mehl

  DOI：10.1039/b819877b

  日期：——

  Shape-amphiphilic liquid crystals offer a route towards complex assemblies at the difficult 10 nanometer length scale. We present the preparation and mesomorphic characterisation of three novel shape amphiphiles based on azobenzenes. Their mesophases range from a simple nematic to complex lamellar phases of alternating layers of discotic and calamitic mesogens. In all smectic phases, the discotic and calamitic moieties are nanophase separated. As the different sub-layers start to tilt and/or display in-layer order independently, the mesophase assignment becomes more complex. Using temperature dependent X-ray diffraction we studied their characteristics.

  形状双亲液晶为实现 10 纳米长度尺度的复杂组装提供了一条途径。我们介绍了基于偶氮苯的三种新型形状双亲化合物的制备和介形特征。它们的中间相从简单的向列相到由盘状和菖蒲状中间体交替层组成的复杂层状相不等。在所有涂抹相中，盘状介质和菖蒲介质都是纳米相分离的。随着不同子层开始独立倾斜和/或显示层内秩序，介相分配变得更加复杂。我们利用随温度变化的 X 射线衍射研究了它们的特征。
• Novel Anthraquinone Based Discotic Metallomesogens
  作者：Jaishri J. Naidu、Sandeep Kumar

  DOI：10.1080/714965607

  日期：2003.1
• Multiple Levels of Order in Linked Disc–Rod Liquid Crystals
  作者：Paul H. J. Kouwer、Georg H. Mehl

  DOI：10.1002/anie.200352488

  日期：2003.12.15