4,4'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(1-(4-(pyren-1-yl)butyl)-1H-1,2,3-triazole) | 1123207-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,4'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(1-(4-(pyren-1-yl)butyl)-1H-1,2,3-triazole)
• CAS: 1123207-42-0
• 化学式: C₅₃H₄₅BrN₆O₂
• 分子量: 877.883
• InChiKey: LTYGWGQGKXLANZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.76
• 重原子数：
  62.0
• 可旋转键数：
  17.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  79.88
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  trans-4-pyridine 、 4,4'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(1-(4-(pyren-1-yl)butyl)-1H-1,2,3-triazole) 以 氯仿 为溶剂， 反应 24.0h， 以67%的产率得到
  参考文献：
  名称：

  Pyrene-Excimers-Based Antenna Systems

  摘要：

  AbstractA series of dendrimeric compounds bearing pyrene units were synthesized to afford light‐harvesting antennae based on the formation of intramolecular excimers. The synthetic plan profited from the efficiency of the Huisgen reaction, the 1,3‐dipolar cycloaddition of azides and terminal alkynes, which allowed ready assembly of the different building blocks. The three molecular antennae obtained, of increasing generation, revealed efficient energy transfer both in solution and in the solid state.

  DOI：

  10.1002/chem.200801379
• 作为产物：
  描述：

  1-(4-azido-butyl)-pyrene 、 1-(bromomethyl)-3,5-bis(prop-2-ynyloxy)benzene 在 5-(1,2-dihydroxyethyl)-4-hydroxy-3-(sodiooxy)-2,5-dihydrofuran-2-one 、 copper(ll) sulfate pentahydrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以93%的产率得到4,4'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(1-(4-(pyren-1-yl)butyl)-1H-1,2,3-triazole)
  参考文献：
  名称：

  Pyrene-Excimers-Based Antenna Systems

  摘要：

  AbstractA series of dendrimeric compounds bearing pyrene units were synthesized to afford light‐harvesting antennae based on the formation of intramolecular excimers. The synthetic plan profited from the efficiency of the Huisgen reaction, the 1,3‐dipolar cycloaddition of azides and terminal alkynes, which allowed ready assembly of the different building blocks. The three molecular antennae obtained, of increasing generation, revealed efficient energy transfer both in solution and in the solid state.

  DOI：

  10.1002/chem.200801379