| 169057-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 169057-20-9
• 化学式: C₄₆H₅₂O₄
• 分子量: 668.916
• InChiKey: JGBXJBCTHANRRT-XGEXKBAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.64
• 重原子数：
  50.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 乙醇 、 sodium 、 sodium hydride 作用下， 以 四氢呋喃 、 氨 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2,6,19,23-tetrakis(methoxymethoxy)heptacyclo[22.10.4.47,18.13,33.15,9.116,20.122,26]hexatetraconta-1,3(39),5(46),6,8,16,18,20(41),22(40),23,25,33-dodecaene
  参考文献：
  名称：

  Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block

  摘要：

  syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01127-3
• 作为产物：
  描述：

  聚合甲醛 、 10,16-dihydroxy<2^13,14><6.2>metacyclophane 在 cesium hydroxide 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 12.0h， 以78%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block

  摘要：

  syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01127-3