1-[2-[3,5-Bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]phenyl]ethynyl]-6-tert-butyl-3-ethynylazulene | 291763-12-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 1-[2-[3,5-Bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]phenyl]ethynyl]-6-tert-butyl-3-ethynylazulene
• 英文别名: 1-[2-[3,5-bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]phenyl]ethynyl]-6-tert-butyl-3-ethynylazulene
• CAS: 291763-12-7
• 化学式: C₆₀H₄₈
• 分子量: 769.041
• InChiKey: ODTHQRKMJFSHJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  60
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(6-tert-butyl-3-iodoazulene-1-yl)-2-(6-tert-butyl-3-trimethylsilylethynylazulen-1-yl)ethyne 、 1-[2-[3,5-Bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]phenyl]ethynyl]-6-tert-butyl-3-ethynylazulene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 作用下， 以29%的产率得到2-[3-[2-[3-[2-[3-[2-[3,5-Bis[2-[6-tert-butyl-3-[2-[6-tert-butyl-3-[2-[6-tert-butyl-3-(2-trimethylsilylethynyl)azulen-1-yl]ethynyl]azulen-1-yl]ethynyl]azulen-1-yl]ethynyl]phenyl]ethynyl]-6-tert-butylazulen-1-yl]ethynyl]-6-tert-butylazulen-1-yl]ethynyl]-6-tert-butylazulen-1-yl]ethynyl-trimethylsilane
  参考文献：
  名称：

  Synthesis of novel benzene bridged polyalkynylazulenes

  摘要：

  A synthesis of tri-, tetra- and pentaazulenylethynylbenzenes 3, 5 and 7 as well as 1,3,5-tripodal polyynes 11, 12, 14 and 15 by Pd/Cu-catalyzed cross-coupling reactions of the appropriate halides with the corresponding acetylenes are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00577-3
• 作为产物：
  描述：

  1,3,5-三乙炔苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 氢氧化钾 、 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 生成 1-[2-[3,5-Bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]phenyl]ethynyl]-6-tert-butyl-3-ethynylazulene
  参考文献：
  名称：

  Synthesis of novel benzene bridged polyalkynylazulenes

  摘要：

  A synthesis of tri-, tetra- and pentaazulenylethynylbenzenes 3, 5 and 7 as well as 1,3,5-tripodal polyynes 11, 12, 14 and 15 by Pd/Cu-catalyzed cross-coupling reactions of the appropriate halides with the corresponding acetylenes are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00577-3

文献信息

• Synthesis of novel benzene bridged polyalkynylazulenes
  作者：Ahmed H.M Elwahy、Klaus Hafner

  DOI：10.1016/s0040-4039(00)00577-3

  日期：2000.5

  A synthesis of tri-, tetra- and pentaazulenylethynylbenzenes 3, 5 and 7 as well as 1,3,5-tripodal polyynes 11, 12, 14 and 15 by Pd/Cu-catalyzed cross-coupling reactions of the appropriate halides with the corresponding acetylenes are described. (C) 2000 Elsevier Science Ltd. All rights reserved.