1-Bromo-5,6,7-tris-dodecyloxy-9-methyl-phenanthrene | 180726-44-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Bromo-5,6,7-tris-dodecyloxy-9-methyl-phenanthrene
• 英文别名: 1-Bromo-5,6,7-tridodecoxy-9-methylphenanthrene
• CAS: 180726-44-7
• 化学式: C₅₁H₈₃BrO₃
• 分子量: 824.122
• InChiKey: JNAWEPIXUGMTDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.1
• 重原子数：
  55
• 可旋转键数：
  36
• 环数：
  3.0
• 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：

  1-Bromo-5,6,7-tris-dodecyloxy-9-methyl-phenanthrene 在 盐酸 、 正丁基锂 作用下， 反应 5.5h， 生成 Phenyl-[1-(5,6,7-tris-dodecyloxy-9-methyl-phenanthren-1-yl)-meth-(E)-ylidene]-amine
  参考文献：
  名称：

  Belt-Shaped Cyclophanes via Photodimerization of Phenanthro-Condensed [18]Annulenes

  摘要：

  A novel cyclophane type can be obtained by photocyclodimerization reactions of condensed [18]annulenes. Quantitative yields in pure columnar liquid crystalline phases and high yields in 10(-6) M solution raise the inquiry about the unusual dimerization mechanism in this process. Concentration-dependent measurements of the emission and excitation spectra and the fluorescence lifetimes reveal a ground state aggregation in solution even at very low concentrations.

  DOI：

  10.1021/jo960572v
• 作为产物：
  描述：

  (E,Z)-1-(2-bromophenyl)-2-(3,4,5-tris(dodecyloxy)phenyl)propene 在 碘 、 methyloxirane 作用下， 以 环己烷 为溶剂， 反应 48.0h， 以64%的产率得到1-Bromo-5,6,7-tris-dodecyloxy-9-methyl-phenanthrene
  参考文献：
  名称：

  Belt-Shaped Cyclophanes via Photodimerization of Phenanthro-Condensed [18]Annulenes

  摘要：

  A novel cyclophane type can be obtained by photocyclodimerization reactions of condensed [18]annulenes. Quantitative yields in pure columnar liquid crystalline phases and high yields in 10(-6) M solution raise the inquiry about the unusual dimerization mechanism in this process. Concentration-dependent measurements of the emission and excitation spectra and the fluorescence lifetimes reveal a ground state aggregation in solution even at very low concentrations.

  DOI：

  10.1021/jo960572v