4-(2-Prop-2-ynoxyethoxy)benzonitrile | 1095130-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2-Prop-2-ynoxyethoxy)benzonitrile
• CAS: 1095130-53-2
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: HLSOVPHFKYEODG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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-Prop-2-ynoxyethoxy)benzonitrile 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  A Switchable Ferrocene-Based [1]Rotaxane with an Electrochemical Signal Output

  摘要：

  A [1]rotaxane, in which a linear rod is attached to one cyclopentadienyl (Cp) ring of a ferrocene unit and threaded into a dibenzo-24-crown-8 connected to the other Cp ring, was prepared. The mechanical motion of the rod-like part relative to the macrocycle has been demonstrated using H-1 NMR spectroscopy. Cyclic voltammetry (CV) showed that the system can be chemically switched between electrochemically reversible and irreversible states, depending on the inclusion and exclusion of the ammonium/amine group from the macrocycle.

  DOI：

  10.1021/ol302826g
• 作为产物：
  描述：

  4-羟基苯甲腈 在 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 24.0h， 生成 4-(2-Prop-2-ynoxyethoxy)benzonitrile
  参考文献：
  名称：

  A Switchable Ferrocene-Based [1]Rotaxane with an Electrochemical Signal Output

  摘要：

  A [1]rotaxane, in which a linear rod is attached to one cyclopentadienyl (Cp) ring of a ferrocene unit and threaded into a dibenzo-24-crown-8 connected to the other Cp ring, was prepared. The mechanical motion of the rod-like part relative to the macrocycle has been demonstrated using H-1 NMR spectroscopy. Cyclic voltammetry (CV) showed that the system can be chemically switched between electrochemically reversible and irreversible states, depending on the inclusion and exclusion of the ammonium/amine group from the macrocycle.

  DOI：

  10.1021/ol302826g

文献信息

• A Switchable Ferrocene-Based [1]Rotaxane with an Electrochemical Signal Output
  作者：Hong Li、Hui Zhang、Qiong Zhang、Qi-Wei Zhang、Da-Hui Qu

  DOI：10.1021/ol302826g

  日期：2012.12.7

  A [1]rotaxane, in which a linear rod is attached to one cyclopentadienyl (Cp) ring of a ferrocene unit and threaded into a dibenzo-24-crown-8 connected to the other Cp ring, was prepared. The mechanical motion of the rod-like part relative to the macrocycle has been demonstrated using H-1 NMR spectroscopy. Cyclic voltammetry (CV) showed that the system can be chemically switched between electrochemically reversible and irreversible states, depending on the inclusion and exclusion of the ammonium/amine group from the macrocycle.