1-(3,5-dibromo-4-((4-((4-iodophenyl)ethynyl)phenyl)ethynyl)phenyl)-3,3-diethyltriaz-1-ene | 1327277-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,5-dibromo-4-((4-((4-iodophenyl)ethynyl)phenyl)ethynyl)phenyl)-3,3-diethyltriaz-1-ene
• CAS: 1327277-68-8
• 化学式: C₂₆H₂₀Br₂IN₃
• 分子量: 661.177
• InChiKey: UXLJEIDMMOESAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.96
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  27.96
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [5,15-bis-(3,5-di-tert-butylphenyl)-10-ethynyl-20-(trisisopropylsilyl)ethynyl-porphyrinato]zinc(II) 、 1-(3,5-dibromo-4-((4-((4-iodophenyl)ethynyl)phenyl)ethynyl)phenyl)-3,3-diethyltriaz-1-ene 在 copper(l) iodide 、 双三苯基磷二氯化钯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以97%的产率得到Zn((Et2NNNC6H2Br(CCC6H4)2CC)(TIPSCC)(3,5-di-tert-butylphenyl)2C20H8N4)
  参考文献：
  名称：

  Efficient Light-Harvesting Antenna with a Multi-Porphyrin Cascade

  摘要：

  A light-harvesting antenna 1 comprising three varieties of porphyrins, each having a different number of ethynyl groups at its meso positions, was designed and synthesized. Antenna 1 exhibits intense absorption throughout the visible region up to 700 nm. Steady-state and time-resolved fluorescence studies showed that singlet-excited-state energy transfer occurs from the peripheral porphyrins to the central porphyrin with >90% efficiency and rate constants on the order of 10(10) s(-1).

  DOI：

  10.1021/ja2050343
• 作为产物：
  描述：

  1-(3,5-dibromo-4-((4-iodophenyl)ethynyl)phenyl)-3,3-diethyltriaz-1-ene 在 copper(l) iodide 、 双三苯基磷二氯化钯 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 5.0h， 生成 1-(3,5-dibromo-4-((4-((4-iodophenyl)ethynyl)phenyl)ethynyl)phenyl)-3,3-diethyltriaz-1-ene
  参考文献：
  名称：

  Efficient Light-Harvesting Antenna with a Multi-Porphyrin Cascade

  摘要：

  A light-harvesting antenna 1 comprising three varieties of porphyrins, each having a different number of ethynyl groups at its meso positions, was designed and synthesized. Antenna 1 exhibits intense absorption throughout the visible region up to 700 nm. Steady-state and time-resolved fluorescence studies showed that singlet-excited-state energy transfer occurs from the peripheral porphyrins to the central porphyrin with >90% efficiency and rate constants on the order of 10(10) s(-1).

  DOI：

  10.1021/ja2050343