| 646488-53-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 646488-53-1
• 化学式: C₅₈H₅₈Br₆O₁₂
• 分子量: 1426.52
• InChiKey: CGHMOZMOAUJTQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.08
• 重原子数：
  76.0
• 可旋转键数：
  0.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  110.76
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  在 叔丁基锂 、 硼酸三甲酯 、 sodium hydroxide 、 双氧水 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 6.0h， 以62%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：

  12,45-Dimethyl-3,6,9,16,19,22,36,39,42,49,52,55-dodecaoxanonacyclo[32.32.1.124,57.02,63.010,15.023,28.030,35.043,48.056,61]octahexaconta-1(66),2(63),10(15),11,13,23,25,27,30(35),31,33,43(48),44,46,56,58,60,64-octadecaene 在 溴 作用下， 以 二氯甲烷 为溶剂， 以75%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