5-(3-ferrocenylpropanyloxy)isophthalic acid | 1309869-16-6

• 英文名称: 5-(3-ferrocenylpropanyloxy)isophthalic acid
• CAS: 1309869-16-6
• 化学式: C₂₁H₂₀FeO₅
• 分子量: 408.234
• InChiKey: QASKTYURSODTCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  5-(3-ferrocenylpropanyloxy)isophthalic acid 、 碳酸氢钠 以 水 为溶剂， 生成 disodium 5-(3-ferrocenylpropanyloxy)isophthalate
  参考文献：
  名称：

  Construction of Functionalized Metallosupramolecular Tetragonal Prisms via Multicomponent Coordination-Driven Self-Assembly

  摘要：

  A new approach for the construction of functionalized metallosupramolecular tetragonal prisms via multicomponent, coordination-driven, template-free self-assembly is described. The combination of tetra-(4-pyridylphenyl)ethylene, a 90 degrees Pt(II) acceptor, and ditopic bipyridine or carboxylate ligands functionalized with hydroxyl or amine groups, hydrophobic alkyl chains, or electrochemically active ferrocene, yields a suite of seven self-assembled tetragonal prisms under mild conditions. These three-dimensional metallosupramolecules were characterized by multinuclear NMR (P-31 and H-1) and mass spectrometry. Their shapes and sizes were established using Merck Molecular Force Field (MMFF) simulations. In addition, their approximate sizes were further supported by pulsed-field-gradient spin echo (PGSE) NMR experiments.

  DOI：

  10.1021/ic2002157
• 作为产物：
  描述：

  sodium hydroxide 、 dimethyl 5-(3-ferrocenylpropanyloxy)isophthalate 以 甲醇 、 水 为溶剂， 以82%的产率得到5-(3-ferrocenylpropanyloxy)isophthalic acid
  参考文献：
  名称：

  Construction of Functionalized Metallosupramolecular Tetragonal Prisms via Multicomponent Coordination-Driven Self-Assembly

  摘要：

  A new approach for the construction of functionalized metallosupramolecular tetragonal prisms via multicomponent, coordination-driven, template-free self-assembly is described. The combination of tetra-(4-pyridylphenyl)ethylene, a 90 degrees Pt(II) acceptor, and ditopic bipyridine or carboxylate ligands functionalized with hydroxyl or amine groups, hydrophobic alkyl chains, or electrochemically active ferrocene, yields a suite of seven self-assembled tetragonal prisms under mild conditions. These three-dimensional metallosupramolecules were characterized by multinuclear NMR (P-31 and H-1) and mass spectrometry. Their shapes and sizes were established using Merck Molecular Force Field (MMFF) simulations. In addition, their approximate sizes were further supported by pulsed-field-gradient spin echo (PGSE) NMR experiments.

  DOI：

  10.1021/ic2002157