| 646488-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• CAS: 646488-56-4
• 化学式: C₅₈H₆₄O₁₄
• 分子量: 985.138
• InChiKey: QUUKLXGTJYVGER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.87
• 重原子数：
  72.0
• 可旋转键数：
  2.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  151.22
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以90%的产率得到
  参考文献：
  名称：

  New water-soluble calix[4]arene-bis(benzocrown-6) for caesium–sodium separation by nanofiltration–complexation

  摘要：

  Calix-bis(benzocrown-6) 6 and 7 were converted into the water-soluble receptors 9, 10, 12 and 15 by introducing hydroxy, carboxy, sulfato or diethanolamino groups at the para position of the phenolic ring and/or on the benzo-ether moieties. The complexation properties of these ionophores were studied for all alkali cations in methanolic and aqueous media. Stability constants were calculated by UV-Vis spectroscopy. All ligands showed a more or less affinity for the larger cations, depending on the nature and the position of the substituents grafted on the benzo-ether chain only or both on the calixarene ring and the benzo-ether loop. For selective Cs+/Na+ separation, the efficiency of the ligands was evaluated by means of a nanofiltration system. In comparison with the known tetrahydroxylated bis-crown-6 calix[4]arene 1, compounds 9, 12 and 15 represent the most selective ligands for the Cs+ cation in a moderate salted medium ([NaNO3]=85 g/L). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.051
• 作为产物：
  描述：

  3,4-二羟基苯甲酸乙酯 在 lithium aluminium tetrahydride 、 potassium carbonate 、 三乙胺 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 654.0h， 生成
  参考文献：
  名称：

  New water-soluble calix[4]arene-bis(benzocrown-6) for caesium–sodium separation by nanofiltration–complexation

  摘要：

  Calix-bis(benzocrown-6) 6 and 7 were converted into the water-soluble receptors 9, 10, 12 and 15 by introducing hydroxy, carboxy, sulfato or diethanolamino groups at the para position of the phenolic ring and/or on the benzo-ether moieties. The complexation properties of these ionophores were studied for all alkali cations in methanolic and aqueous media. Stability constants were calculated by UV-Vis spectroscopy. All ligands showed a more or less affinity for the larger cations, depending on the nature and the position of the substituents grafted on the benzo-ether chain only or both on the calixarene ring and the benzo-ether loop. For selective Cs+/Na+ separation, the efficiency of the ligands was evaluated by means of a nanofiltration system. In comparison with the known tetrahydroxylated bis-crown-6 calix[4]arene 1, compounds 9, 12 and 15 represent the most selective ligands for the Cs+ cation in a moderate salted medium ([NaNO3]=85 g/L). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.051