22,22,44,44-Tetrabutylundecacyclo[23.19.0.03,23.04,21.06,19.07,12.013,18.026,43.028,41.029,34.035,40]tetratetraconta-1(25),2,4(21),5,7,9,11,13,15,17,19,23,26(43),27,29,31,33,35,37,39,41-henicosaene | 1440683-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 22,22,44,44-Tetrabutylundecacyclo[23.19.0.03,23.04,21.06,19.07,12.013,18.026,43.028,41.029,34.035,40]tetratetraconta-1(25),2,4(21),5,7,9,11,13,15,17,19,23,26(43),27,29,31,33,35,37,39,41-henicosaene
• CAS: 1440683-40-8
• 化学式: C₆₀H₅₈
• 分子量: 779.121
• InChiKey: SPHPMMWOYSMFJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  60
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  5-ethynylnonan-5-ol 在 四氟硼酸-二乙醚络合物 、 copper(l) iodide 、 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 C.I.酸性棕21 、 bis(triphenylphosphine)palladium(II) dichloride 、 氢气 、 二异丙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 33.0h， 生成 22,22,44,44-Tetrabutylundecacyclo[23.19.0.03,23.04,21.06,19.07,12.013,18.026,43.028,41.029,34.035,40]tetratetraconta-1(25),2,4(21),5,7,9,11,13,15,17,19,23,26(43),27,29,31,33,35,37,39,41-henicosaene
  参考文献：
  名称：

  Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules

  摘要：

  The convenient synthesis of substituted triphenylenes and azatriphenylenes has been achieved by the cationic rhodium(I)/H-8-BINAP or BINAP complex-catalyzed [2 + 2 + 2] cycloaddition under mild conditions. Photo-physical properties of representative triphenylenes and azatriphenylenes were examined, which revealed that azatriphenylenes showed higher fluorescence quantum yields than triphenylenes. This method was successfully applied to the synthesis of highly fluorescent triphenylene-based long ladder molecules.

  DOI：

  10.1021/jo4008892