5-[(E)-2-(4-Bromomethyl-phenyl)-vinyl]-1,2,3-tris-dodecyloxy-benzene | 527736-36-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5-[(E)-2-(4-Bromomethyl-phenyl)-vinyl]-1,2,3-tris-dodecyloxy-benzene
• 英文别名: 5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-tridodecoxybenzene
• CAS: 527736-36-3
• 化学式: C₅₁H₈₅BrO₃
• 分子量: 826.138
• InChiKey: FMYIBJVIKCKKAT-WQBMDMGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  55
• 可旋转键数：
  39
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[(E)-2-(4-Bromomethyl-phenyl)-vinyl]-1,2,3-tris-dodecyloxy-benzene 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 20-[(E)-2-[4-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]phenyl]ethenyl]-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
  参考文献：
  名称：

  Alkali cation induced liquid crystalline properties of an oligophenylenevinylene-benzocrown ether conjugate

  摘要：

  An oligophenylenevinylene-benzocrown ether conjugate has been prepared and its binding selectivity for alkali metal ions evaluated by electrospray mass spectrometry. Whereas this benzocrown-ether derivative does not exhibit any liquid crystalline properties, the self-assembly by coordination to potassium or cesium leads to supramolecular sandwich complexes with mesomorphic properties. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00560-4
• 作为产物：
  描述：

  (E)-4-[2-(3,4,5-tridodecyloxyphenyl)ethenyl]benzaldehyde 在 lithium aluminium tetrahydride 、 三甲基溴硅烷 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 5-[(E)-2-(4-Bromomethyl-phenyl)-vinyl]-1,2,3-tris-dodecyloxy-benzene
  参考文献：
  名称：

  Alkali cation induced liquid crystalline properties of an oligophenylenevinylene-benzocrown ether conjugate

  摘要：

  An oligophenylenevinylene-benzocrown ether conjugate has been prepared and its binding selectivity for alkali metal ions evaluated by electrospray mass spectrometry. Whereas this benzocrown-ether derivative does not exhibit any liquid crystalline properties, the self-assembly by coordination to potassium or cesium leads to supramolecular sandwich complexes with mesomorphic properties. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00560-4

文献信息

• Alkali cation induced liquid crystalline properties of an oligophenylenevinylene-benzocrown ether conjugate
  作者：Manuel Gutiérrez-Nava、Matthieu Jaeggy、Hélène Nierengarten、Patrick Masson、Daniel Guillon、Alain Van Dorsselaer、Jean-François Nierengarten

  DOI：10.1016/s0040-4039(03)00560-4

  日期：2003.4

  An oligophenylenevinylene-benzocrown ether conjugate has been prepared and its binding selectivity for alkali metal ions evaluated by electrospray mass spectrometry. Whereas this benzocrown-ether derivative does not exhibit any liquid crystalline properties, the self-assembly by coordination to potassium or cesium leads to supramolecular sandwich complexes with mesomorphic properties. (C) 2003 Elsevier Science Ltd. All rights reserved.