2-(4-bromophenoxy)-N,N-bis[2-(4-bromophenoxy)ethyl]ethanamine | 1137293-57-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-bromophenoxy)-N,N-bis[2-(4-bromophenoxy)ethyl]ethanamine
• CAS: 1137293-57-2
• 化学式: C₂₄H₂₄Br₃NO₃
• 分子量: 614.171
• InChiKey: PPGBAWTVTMTPMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenoxy)-N,N-bis[2-(4-bromophenoxy)ethyl]ethanamine 在 高氯酸 作用下， 以 氯仿 、 水 为溶剂， 反应 0.5h， 以72%的产率得到
  参考文献：
  名称：

  Halide Functionality Dependent Formation of Molecular Receptors and Their Ion Recognition Properties

  摘要：

  The halide functionality on *bridged tripodal receptors has shown a distinct behavior on their self-assembly structures and binding ability toward HgCl2 and ClO4- anions. The receptors containing fluoro, chloro, and iodo groups crystallized to form hemicarcerands in the solid state, whereas the receptor with a bromo group forms a molecular capsule via C-H center dot center dot center dot Br and C-H center dot center dot center dot pi interactions. The cavity of the molecular capsule is tunable and is capable of reversible encapsulating-releasing the guest molecules by pH modulation.

  DOI：

  10.1021/ol900565e
• 作为产物：
  描述：

  在 水 、 三乙胺 作用下， 生成 2-(4-bromophenoxy)-N,N-bis[2-(4-bromophenoxy)ethyl]ethanamine
  参考文献：
  名称：

  Halide Functionality Dependent Formation of Molecular Receptors and Their Ion Recognition Properties

  摘要：

  The halide functionality on *bridged tripodal receptors has shown a distinct behavior on their self-assembly structures and binding ability toward HgCl2 and ClO4- anions. The receptors containing fluoro, chloro, and iodo groups crystallized to form hemicarcerands in the solid state, whereas the receptor with a bromo group forms a molecular capsule via C-H center dot center dot center dot Br and C-H center dot center dot center dot pi interactions. The cavity of the molecular capsule is tunable and is capable of reversible encapsulating-releasing the guest molecules by pH modulation.

  DOI：

  10.1021/ol900565e

文献信息

• Halide Functionality Dependent Formation of Molecular Receptors and Their Ion Recognition Properties
  作者：Ashutosh S. Singh、Bo-Yu Chen、Yuh-Sheng Wen、Chiitang Tsai、Shih-Sheng Sun

  DOI：10.1021/ol900565e

  日期：2009.5.7

  The halide functionality on *bridged tripodal receptors has shown a distinct behavior on their self-assembly structures and binding ability toward HgCl2 and ClO4- anions. The receptors containing fluoro, chloro, and iodo groups crystallized to form hemicarcerands in the solid state, whereas the receptor with a bromo group forms a molecular capsule via C-H center dot center dot center dot Br and C-H center dot center dot center dot pi interactions. The cavity of the molecular capsule is tunable and is capable of reversible encapsulating-releasing the guest molecules by pH modulation.