1-(3-oxo-3-[2-(4-methoxycarbonylpyridyl)]propen-1-yl)-4-iodobenzene | 1218918-52-5

• 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: 1-(3-oxo-3-[2-(4-methoxycarbonylpyridyl)]propen-1-yl)-4-iodobenzene
• CAS: 1218918-52-5
• 化学式: C₁₆H₁₂INO₃
• 分子量: 393.181
• InChiKey: JWYQSQRUBUZYIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(2-(4-(methoxycarbonyl)pyridin-2-yl)-2-oxoethyl)pyridine-1-ium iodide 、 1-(3-oxo-3-[2-(4-methoxycarbonylpyridyl)]propen-1-yl)-4-iodobenzene 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 以51%的产率得到4'-(4-iodophenyl)-4,4-dimethoxycarbonyl-2,2';6',2"-terpyridine
  参考文献：
  名称：

  A novel conjugated [2]rotaxane with an Ru-containing axle constructed from a carboxy-functionalized bis-terpyridyl ruthenium complex and β-cyclodextrin: Synthesis, characterization, and properties

  摘要：

  A novel Ru-containing conjugated [2]rotaxane, which utilizes a carboxy-functionalized bis-terpyridyl ruthenium complex as an end group, has been prepared by Suzuki coupling in the presence of beta-cyclodextrin (beta-CD). The structure has been characterized by NMR spectroscopy and ESI mass spectrometry. Its photophysical properties have shown that insulation by the cyclodextrin reduces the fluorescence intensity compared to that of the free dumbbell. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.047
• 作为产物：
  描述：

  2-乙酰吡啶-4-甲酸甲酯 、 4-碘苯甲醛 在 哌啶 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以56%的产率得到1-(3-oxo-3-[2-(4-methoxycarbonylpyridyl)]propen-1-yl)-4-iodobenzene
  参考文献：
  名称：

  A novel conjugated [2]rotaxane with an Ru-containing axle constructed from a carboxy-functionalized bis-terpyridyl ruthenium complex and β-cyclodextrin: Synthesis, characterization, and properties

  摘要：

  A novel Ru-containing conjugated [2]rotaxane, which utilizes a carboxy-functionalized bis-terpyridyl ruthenium complex as an end group, has been prepared by Suzuki coupling in the presence of beta-cyclodextrin (beta-CD). The structure has been characterized by NMR spectroscopy and ESI mass spectrometry. Its photophysical properties have shown that insulation by the cyclodextrin reduces the fluorescence intensity compared to that of the free dumbbell. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.047