2-chloro-N-[3-([2,2';6',2'']terpyridin-4'-ylamino)-propyl]-acetamide | 898226-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-chloro-N-[3-([2,2';6',2'']terpyridin-4'-ylamino)-propyl]-acetamide
• CAS: 898226-56-7
• 化学式: C₂₀H₂₀ClN₅O
• 分子量: 381.865
• InChiKey: HMJHEWQWPMOKRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.8
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-chloro-N-[3-([2,2';6',2'']terpyridin-4'-ylamino)-propyl]-acetamide 、 2-(4,10-bis-dimethylcarbamoylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-N,N-dimethyl-acetamide 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到N-[3-([2,2';6',2'']terpyridin-4'-ylamino)-propyl]-2-(4,7,10-tris-dimethylcarbamoylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetamide
  参考文献：
  名称：

  Supramolecular Self-Assembly of Mixed f−d Metal Ion Conjugates

  摘要：

  The synthesis of the novel Eu(III) cyclen complex, Eu1, is described. In buffered pH 7.4 water, the Eu(III) emission was "switched on" upon excitation of the Terpy antenna. In the presence of various transition-metal ions (e.g., Fe(II) and Ni(II)), both the singlet-excited state and the Eu(III) emission were quenched ("switched off"), whereas in the ground state, an MLCT band was formed, signifying the formation of stable mixed linear trimetallic f-d supramolecular self- assemblies.

  DOI：

  10.1021/ol060752j
• 作为产物：
  描述：

  4'-氯-2,2':6',2''-三联吡啶 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 2-chloro-N-[3-([2,2';6',2'']terpyridin-4'-ylamino)-propyl]-acetamide
  参考文献：
  名称：

  Supramolecular Self-Assembly of Mixed f−d Metal Ion Conjugates

  摘要：

  The synthesis of the novel Eu(III) cyclen complex, Eu1, is described. In buffered pH 7.4 water, the Eu(III) emission was "switched on" upon excitation of the Terpy antenna. In the presence of various transition-metal ions (e.g., Fe(II) and Ni(II)), both the singlet-excited state and the Eu(III) emission were quenched ("switched off"), whereas in the ground state, an MLCT band was formed, signifying the formation of stable mixed linear trimetallic f-d supramolecular self- assemblies.

  DOI：

  10.1021/ol060752j