4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethyne-2,1-diyl))bis(2-hydroxybenzaldehyde) | 791068-98-9

• 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: 4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethyne-2,1-diyl))bis(2-hydroxybenzaldehyde)
• 英文别名: 4-[2-[4-[2-(4-formyl-3-hydroxyphenyl)ethynyl]-2,5-dimethoxyphenyl]ethynyl]-2-hydroxybenzaldehyde
• CAS: 791068-98-9
• 化学式: C₂₆H₁₈O₆
• 分子量: 426.425
• InChiKey: HVNVXVVESSAVFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  665.5±55.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-bis(octyloxy)benzene-1,2-diamine 、 4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethyne-2,1-diyl))bis(2-hydroxybenzaldehyde) 以 氯仿 、 乙腈 为溶剂， 反应 24.0h， 以40%的产率得到
  参考文献：
  名称：

  Synthesis and Metalation of Novel Fluorescent Conjugated Macrocycles

  摘要：

  (GRAPHICS)Large shape-persistent conjugated macrocycles with tunable pore diameters in the nanometer regime were prepared by a simple, one-pot procedure. These new self-assembled macrocycles contain rings of 48-66 covalently bonded atoms and can bind multiple metal ions, forming soluble luminescent complexes.

  DOI：

  10.1021/ol0483549
• 作为产物：
  描述：

  4-溴-2-羟基苯甲醛 在 bis-triphenylphosphine-palladium(II) chloride 氢氧化钾 、 copper(l) iodide 、 三乙胺 、 二异丙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethyne-2,1-diyl))bis(2-hydroxybenzaldehyde)
  参考文献：
  名称：

  Synthesis and Metalation of Novel Fluorescent Conjugated Macrocycles

  摘要：

  (GRAPHICS)Large shape-persistent conjugated macrocycles with tunable pore diameters in the nanometer regime were prepared by a simple, one-pot procedure. These new self-assembled macrocycles contain rings of 48-66 covalently bonded atoms and can bind multiple metal ions, forming soluble luminescent complexes.

  DOI：

  10.1021/ol0483549

文献信息

• Synthesis and Metalation of Novel Fluorescent Conjugated Macrocycles
  作者：Cecily Ma、Andy Lo、Amir Abdolmaleki、Mark J. MacLachlan

  DOI：10.1021/ol0483549

  日期：2004.10.1

  (GRAPHICS)Large shape-persistent conjugated macrocycles with tunable pore diameters in the nanometer regime were prepared by a simple, one-pot procedure. These new self-assembled macrocycles contain rings of 48-66 covalently bonded atoms and can bind multiple metal ions, forming soluble luminescent complexes.