(E)-6,7,8-trihexyloxy-4-methylpyrene-2-(N-phenylcarbaldimine) | 334917-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (E)-6,7,8-trihexyloxy-4-methylpyrene-2-(N-phenylcarbaldimine)
• CAS: 334917-58-7
• 化学式: C₄₂H₅₃NO₃
• 分子量: 619.888
• InChiKey: YGBSJERAPGOWNS-BJSJXSMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.52
• 重原子数：
  46.0
• 可旋转键数：
  20.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.05
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-6,7,8-trihexyloxy-4-methylpyrene-2-(N-phenylcarbaldimine) 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以34%的产率得到(8E,17E,26E)-2,3,4,11,12,13,20,21,22-nonahexyloxytripyreno[2,3,4-abc:2,3,4-ghi:2,3,4-mno]cyclooctadecene
  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-trihexyloxy-4-methylpyrene 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 75.0 ℃ 、10.0 kPa 条件下， 反应 8.0h， 生成 (E)-6,7,8-trihexyloxy-4-methylpyrene-2-(N-phenylcarbaldimine)
  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