4-[2-(2,6-二溴苯氧基)乙氧基]苯甲腈 | 865756-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[2-(2,6-二溴苯氧基)乙氧基]苯甲腈
• 英文名称: 1,3-dibromo-2-[4-(p-cyanophenyl)-1,4-dioxabutyl]benzene
• 英文别名: 4-[2-(2,6-Dibromophenoxy)ethoxy]benzonitrile
• CAS: 865756-52-1
• 化学式: C₁₅H₁₁Br₂NO₂
• 分子量: 397.066
• InChiKey: DVMRASJJAUSLGS-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 沸点：
  500.6±45.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[2-(2,6-二溴苯氧基)乙氧基]苯甲腈 、 4-ethynylpyridine hydrochloride 在 copper(l) iodide 二(氰基苯)二氯化钯 、 三叔丁基膦 、 二异丙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 40.0h， 以92%的产率得到2-[4-(p-cyanophenyl)-1,4-dioxabutyl]-1,3-bis(4-pyridylethynyl)benzene
  参考文献：
  名称：

  24-Fold Endohedral Functionalization of a Self-Assembled M₁₂L₂₄ Coordination Nanoball

  摘要：

  A ca. 5 nm-sized, roughly spherical hollow complex was assembled from 12 Pd2+ ions and 24 bis(4-pyridylethenyl)-substituted bent ligands. By putting a functional group at the curvature of the ligand, the 24 functional groups were precisely arrayed inward within the spherical complex. When oligo(ethylene oxide) was anchored, the void of the hollow complex was tightly filled with a pseudo poly(ethylene oxide) nanoparticle, which showed metal ion (La3+) absorption property.

  DOI：

  10.1021/ja054069o
• 作为产物：
  描述：

  2,6-二溴苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 48.0h， 生成 4-[2-(2,6-二溴苯氧基)乙氧基]苯甲腈
  参考文献：
  名称：

  24-Fold Endohedral Functionalization of a Self-Assembled M₁₂L₂₄ Coordination Nanoball

  摘要：

  A ca. 5 nm-sized, roughly spherical hollow complex was assembled from 12 Pd2+ ions and 24 bis(4-pyridylethenyl)-substituted bent ligands. By putting a functional group at the curvature of the ligand, the 24 functional groups were precisely arrayed inward within the spherical complex. When oligo(ethylene oxide) was anchored, the void of the hollow complex was tightly filled with a pseudo poly(ethylene oxide) nanoparticle, which showed metal ion (La3+) absorption property.

  DOI：

  10.1021/ja054069o

文献信息

• 24-Fold Endohedral Functionalization of a Self-Assembled M₁₂L₂₄ Coordination Nanoball
  作者：Masahide Tominaga、Kosuke Suzuki、Takashi Murase、Makoto Fujita

  DOI：10.1021/ja054069o

  日期：2005.8.1

  A ca. 5 nm-sized, roughly spherical hollow complex was assembled from 12 Pd2+ ions and 24 bis(4-pyridylethenyl)-substituted bent ligands. By putting a functional group at the curvature of the ligand, the 24 functional groups were precisely arrayed inward within the spherical complex. When oligo(ethylene oxide) was anchored, the void of the hollow complex was tightly filled with a pseudo poly(ethylene oxide) nanoparticle, which showed metal ion (La3+) absorption property.