2,7-dibromo-4,5-dimethoxypyrene | 1453792-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,7-dibromo-4,5-dimethoxypyrene
• CAS: 1453792-06-7
• 化学式: C₁₈H₁₂Br₂O₂
• 分子量: 420.1
• InChiKey: LVGYNWOYYPLWSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.13
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,7-dibromo-4,5-dimethoxypyrene 、 N,N-didodecyl-4-ethynylaniline 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 0.17h， 以93%的产率得到
  参考文献：
  名称：

  Tuning Light Absorption in Pyrene: Synthesis and Substitution Effects of Regioisomeric Donor–Acceptor Chromophores

  摘要：

  Three isomeric donor-acceptor (DA) chromophores based on pyrene were synthesized to study the effects of substitution pattern on intramolecular charge-transfer absorption through pyrene. These chromophores are nonfluorescent and absorb light in the long-wavelength region approaching 700 nm, making them promising light-harvesters. Their optical properties depend greatly on the substitution pattern of the donor, but their electrochemical properties are relatively unaffected.

  DOI：

  10.1021/ol402172x
• 作为产物：
  描述：

  在 copper(ll) bromide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 16.0h， 以63%的产率得到2,7-dibromo-4,5-dimethoxypyrene
  参考文献：
  名称：

  Tuning Light Absorption in Pyrene: Synthesis and Substitution Effects of Regioisomeric Donor–Acceptor Chromophores

  摘要：

  Three isomeric donor-acceptor (DA) chromophores based on pyrene were synthesized to study the effects of substitution pattern on intramolecular charge-transfer absorption through pyrene. These chromophores are nonfluorescent and absorb light in the long-wavelength region approaching 700 nm, making them promising light-harvesters. Their optical properties depend greatly on the substitution pattern of the donor, but their electrochemical properties are relatively unaffected.

  DOI：

  10.1021/ol402172x