N,N′-bis(4-iodophenyl)terephthalamide | 326899-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N′-bis(4-iodophenyl)terephthalamide
• 英文别名: N,N'-bis(4-iodophenyl)benzene-1,4-dicarboxamide；1-N,4-N-bis(4-iodophenyl)benzene-1,4-dicarboxamide
• CAS: 326899-20-1
• 化学式: C₂₀H₁₄I₂N₂O₂
• mdl: MFCD00784270
• 分子量: 568.152
• InChiKey: QPYWTFCRIJYNQE-UHFFFAOYSA-N

物化性质

• 沸点：
  481.5±40.0 °C(Predicted)
• 密度：
  1.950±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N′-bis(4-iodophenyl)terephthalamide 、 4-ethynylpyridine hydrochloride 在 三乙胺 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 以77%的产率得到N,N′-bis(4-(pyridin-4-ylethynyl)phenyl)terephthalamide
  参考文献：
  名称：

  Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses

  摘要：

  Two new metallarectangles, 4 and 5, were obtained from the self assembly of areneruthenium-based molecular clips 2 and 3 with a new dipyridyl donor ligand 1 containing a diamide core and ethynyl spacers. The metallarectangles were characterized by multinuclear NMR, electrospray ionization mass spectrometry, and UV-vis spectroscopy, and the molecular structure of 4 was unambiguously determined by single crystal X-ray diffraction analysis. Because of the presence of an extended pi-electron aromatic surface, the tetracene-containing molecular rectangle 5 was capable of binding C-60 and C-70 fullerenes as quantified by UV-vis, emission, and H-1 NMR experiments, providing an example of a supramolecular host capable of recognizing large guest molecules

  DOI：

  10.1021/ic401685s
• 作为产物：
  描述：

  对苯二甲酰氯 、 对碘苯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到N,N′-bis(4-iodophenyl)terephthalamide
  参考文献：
  名称：

  Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses

  摘要：

  Two new metallarectangles, 4 and 5, were obtained from the self assembly of areneruthenium-based molecular clips 2 and 3 with a new dipyridyl donor ligand 1 containing a diamide core and ethynyl spacers. The metallarectangles were characterized by multinuclear NMR, electrospray ionization mass spectrometry, and UV-vis spectroscopy, and the molecular structure of 4 was unambiguously determined by single crystal X-ray diffraction analysis. Because of the presence of an extended pi-electron aromatic surface, the tetracene-containing molecular rectangle 5 was capable of binding C-60 and C-70 fullerenes as quantified by UV-vis, emission, and H-1 NMR experiments, providing an example of a supramolecular host capable of recognizing large guest molecules

  DOI：

  10.1021/ic401685s

文献信息

• Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses
  作者：Anurag Mishra、Hyunji Jung、Min Hyung Lee、Myoung Soo Lah、Ki-Whan Chi

  DOI：10.1021/ic401685s

  日期：2013.8.5

  Two new metallarectangles, 4 and 5, were obtained from the self assembly of areneruthenium-based molecular clips 2 and 3 with a new dipyridyl donor ligand 1 containing a diamide core and ethynyl spacers. The metallarectangles were characterized by multinuclear NMR, electrospray ionization mass spectrometry, and UV-vis spectroscopy, and the molecular structure of 4 was unambiguously determined by single crystal X-ray diffraction analysis. Because of the presence of an extended pi-electron aromatic surface, the tetracene-containing molecular rectangle 5 was capable of binding C-60 and C-70 fullerenes as quantified by UV-vis, emission, and H-1 NMR experiments, providing an example of a supramolecular host capable of recognizing large guest molecules