pentabromophenyl-decyl ether | 623572-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: pentabromophenyl-decyl ether
• 英文别名: 1,2,3,4,5-pentabromo-6-(decyloxy)benzene；1,2,3,4,5-pentabromo-6-decoxybenzene
• CAS: 623572-12-3
• 化学式: C₁₆H₂₁Br₅O
• 分子量: 628.862
• InChiKey: PTOOTYFISHGOAG-UHFFFAOYSA-N

物化性质

• 熔点：
  49 °C
• 沸点：
  496.2±40.0 °C(Predicted)
• 密度：
  1.833±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  22.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  苯乙炔 、 pentabromophenyl-decyl ether 在 钯 作用下， 生成 pentakis(phenylethynyl)phenyl-decyl ether
  参考文献：
  名称：

  Further Low Mass Liquid Crystal Systems with Nematic Columnar (N_c) Phase [1]

  摘要：

  DOI：

  10.1080/10587259208038516
• 作为产物：
  描述：

  癸基溴 、 五溴苯酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 86.0h， 以75%的产率得到pentabromophenyl-decyl ether
  参考文献：
  名称：

  Chemically-Induced Discotic Liquid Crystals. Structural Studies with Nmr Spectroscopy

  摘要：

  Deuterium NMR spectroscopy provides an especially important technique with which to investigate a wide range of liquid crystal behaviour. Here, we describe its use in the structural study of liquid crystals formed from discotic or disc-like molecules and, to illustrate the breadth and power of the NMR method, we have selected two systems in which the liquid crystal phases are chemically induced. The binary mixtures are similar in that one component is a radial multiyne but differ significantly in the nature of the chemical inductor. In one case the inductor is a nitrated fluorenone which has a similar anisotropy to the radial multiyne while for the second system the inductor, a substituted o-xylene is considerably smaller and far less anisotropic. By measuring the deuterium NMR spectra of suitably deuteriated versions of the components we show how it is possible to investigate the orientational order of the components in the various induced phases, their effective molecular symmetry, the molecular geometry, the chain flexibility and orientational order together with the phase symmetry. The results of these investigations are described and explained.

  DOI：

  10.1080/15421400390213311

文献信息

• Room-Temperature Discotic Nematic Liquid Crystals
  作者：Sandeep Kumar、Sanjay Kumar Varshney、Diwakar Chauhan

  DOI：10.1080/15421400390213573

  日期：2003.1

  The use of discotic nematic liquid crystals instead of calamitic nematic liquid crystals to improve the viewing angle of a liquid crystal display device has recently been reported. Compared to the large number of calamitic molecules showing nematic phase at room temperature, the number of disk-shaped molecules showing subambient discotic nematic phase N-D are rare. In this paper we present the design, synthesis, mesomorphic behaviour and structure-property relationship of discotic nematic liquid crystals based on benzene multiyne core.
• Self-assembling discotic materials with low symmetry for organic photovoltaics
  作者：Hsiu-Hui Chen、Martin Cigl、Chu-Ti Cheng、Krzysztof A. Bogdanowicz、Agnieszka Iwan、Natalia Podoliak、Petra Vaňkátová、Věra Hamplová、Karolina Dysz、Wojciech Przybył、Pawel Nitschke、Ewa Schab-Balcerzak、Damian Pociecha、Alexej Bubnov

  DOI：10.1016/j.molliq.2022.118868

  日期：2022.5