| 721922-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 721922-74-3
• 化学式: C₅₀H₉₂Br₂O₁₉
• 分子量: 1157.08
• InChiKey: AVQQJIULBTWMSH-ITMZJIMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  71.0
• 可旋转键数：
  55.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  175.37
• 氢给体数：
  0.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  3-乙炔基吡啶 、 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 反应 12.0h， 以80.5%的产率得到3-[2-[3-[3-[3-[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxy-2-[[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxymethyl]propoxy]-2-[[3-[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxy-2-[[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxymethyl]propoxy]methyl]propoxy]-5-(2-pyridin-3-ylethynyl)phenyl]ethynyl]pyridine
  参考文献：
  名称：

  Anion-Directed Self-Assembly of Coordination Polymer into Tunable Secondary Structure

  摘要：

  A bent-shaped bipyridine ligand containing a dendritic aliphatic side chain has been synthesized as a ligand and complexed with silver ion through a self-assembling process. The resulting complexes were observed to self-assemble into supramolecular structures that differ significantly as a function of the counteranion size in the solid state, as confirmed by 1-D and 2-D X-ray diffraction experiments. The secondary structure of a cationic coordination chain appears to be dependent on the size of the counteranion. As the size of anion increases, the secondary structure of the coordination chain changes, from a helical chain, via a dimeric cycle, to a zigzag chain in the solid state. Interestingly, dilute solutions of the complexes exhibiting a columnar structure in polar solvents undergo spontaneous gelation and the resulting gels display a significant Cotton effect in the chromophore of the aromatic unit. These results represent a significant example that small variation in the anion size can provide a useful strategy to manipulate the secondary structure of linear chain and thereby solid-state supramolecular structure.

  DOI：

  10.1021/ja049799v
• 作为产物：
  描述：

  (S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-ol 在 吡啶 、 硼烷四氢呋喃络合物 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 31.5h， 生成
  参考文献：
  名称：

  Anion-Directed Self-Assembly of Coordination Polymer into Tunable Secondary Structure

  摘要：

  A bent-shaped bipyridine ligand containing a dendritic aliphatic side chain has been synthesized as a ligand and complexed with silver ion through a self-assembling process. The resulting complexes were observed to self-assemble into supramolecular structures that differ significantly as a function of the counteranion size in the solid state, as confirmed by 1-D and 2-D X-ray diffraction experiments. The secondary structure of a cationic coordination chain appears to be dependent on the size of the counteranion. As the size of anion increases, the secondary structure of the coordination chain changes, from a helical chain, via a dimeric cycle, to a zigzag chain in the solid state. Interestingly, dilute solutions of the complexes exhibiting a columnar structure in polar solvents undergo spontaneous gelation and the resulting gels display a significant Cotton effect in the chromophore of the aromatic unit. These results represent a significant example that small variation in the anion size can provide a useful strategy to manipulate the secondary structure of linear chain and thereby solid-state supramolecular structure.

  DOI：

  10.1021/ja049799v