2-bromo-6,7,8-tridodecyloxy-10-methyl-5-vinylphenanthrene | 334917-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-bromo-6,7,8-tridodecyloxy-10-methyl-5-vinylphenanthrene
• CAS: 334917-52-1
• 化学式: C₅₃H₈₅BrO₃
• 分子量: 850.16
• InChiKey: ZTKSXZBTCCWCMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.61
• 重原子数：
  57.0
• 可旋转键数：
  37.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-bromo-6,7,8-tridodecyloxy-10-methyl-5-vinylphenanthrene 以 苯 为溶剂， 以63%的产率得到2-bromo-6,7,8-tridodecyloxy-4-methylpyrene
  参考文献：
  名称：

  Synthesis of Tripyreno[2,3,4-abc: 2,3,4-ghi: 2,3,4-mno][18]annulenes

  摘要：

  The title compounds were prepared in a multi-step synthesis in which primarily the pyrene building blocks were formed (1.2 --> 11a.b). The final reaction step 11a,b --> 12a,b consisted of a threefold trans selective cyclocondensation process that generated the central 18-membered ring. Hexyl oxy or dodecyloxy sidechains attached on the periphery led to the formation of liquid crystalline phases.

  DOI：

  10.1002/1521-3897(200010)342:8<785::aid-prac785>3.0.co;2-k
• 作为产物：
  描述：

  2-bromo-6,7,8-tridodecyloxy-10-methylphenanthrene 在 potassium tert-butylate 、 四氯化锡 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-bromo-6,7,8-tridodecyloxy-10-methyl-5-vinylphenanthrene
  参考文献：
  名称：

  Synthesis of Tripyreno[2,3,4-abc: 2,3,4-ghi: 2,3,4-mno][18]annulenes

  摘要：

  The title compounds were prepared in a multi-step synthesis in which primarily the pyrene building blocks were formed (1.2 --> 11a.b). The final reaction step 11a,b --> 12a,b consisted of a threefold trans selective cyclocondensation process that generated the central 18-membered ring. Hexyl oxy or dodecyloxy sidechains attached on the periphery led to the formation of liquid crystalline phases.

  DOI：

  10.1002/1521-3897(200010)342:8<785::aid-prac785>3.0.co;2-k