4,4'-(1,2-Ethynediyl)bis[2-hydroxybenzaldehyde] | 791068-96-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4'-(1,2-Ethynediyl)bis[2-hydroxybenzaldehyde]
• 英文别名: 4-[2-(4-formyl-3-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
• CAS: 791068-96-7
• 化学式: C₁₆H₁₀O₄
• 分子量: 266.253
• InChiKey: RRFCXWZGYCHYCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-bis(octyloxy)benzene-1,2-diamine 、 4,4'-(1,2-Ethynediyl)bis[2-hydroxybenzaldehyde] 以 氯仿 、 乙腈 为溶剂， 反应 24.0h， 以67%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 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 47.0h， 生成 4,4'-(1,2-Ethynediyl)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 of chiral large-ring triangular salen ligands and structural characterization of their complexes
  作者：Marcin Kwit、Beata Zabicka、Jacek Gawronski

  DOI：10.1039/b909445h

  日期：——

  Large chiral triangular macrocycles having three salen ligand sites were obtained by cyclocondensation of trans-1,2-diaminocyclohexane with linearly connected bis-salicylaldehydes. Structures of the ligands and their titanium(IV) or zinc(II) complexes have been characterized by means of spectroscopic (CD) and computational (DFT) methods.

  通过反式1,2-二氨基环己烷与线性连接的双水杨醛的环缩合获得具有三个salen配体位点的大手性三角大环。配体及其钛（IV）或锌（II）配合物的结构已通过光谱（CD）和计算（DFT）方法进行了表征。
• Supramolecular Assembly and Coordination-Assisted Deaggregation of Multimetallic Macrocycles
  作者：Cecily Tsz Lui Ma、Mark J. MacLachlan

  DOI：10.1002/anie.200500058

  日期：2005.7.4