5,17-dibromo-25,27-dimethoxycalix[4]arene-crown-6 | 1400788-70-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,17-dibromo-25,27-dimethoxycalix[4]arene-crown-6
• 英文别名: 22,34-Dibromo-43,44-dimethoxy-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26,28,30(44),32,34,37(43),38,40-dodecaene
• CAS: 1400788-70-6
• 化学式: C₄₀H₄₄Br₂O₈
• 分子量: 812.593
• InChiKey: XKLAGSWFMXVWHN-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222 °C
• 沸点：
  859.2±65.0 °C(predicted)
• 密度：
  1.313±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  50
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,17-dibromo-25,27-dimethoxycalix[4]arene-crown-6 在 正丁基锂 、 草酰氯 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 水 、 苯 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  Comparison of upper and lower rim-functionalized, di-ionizable calix[4]arene-crown-6 structural isomers in divalent metal ion extraction

  摘要：

  Upper rim-functionalized, di-ionizable calix[4]arene-crown-6 ligands are synthesized and compared with structural isomers having the two acidic side arms attached to the lower rim. Solvent extractions of selected divalent metal cations (alkaline earth metal cations, Pb2+, and Hg2+) from aqueous solutions into chloroform by the upper and lower rim-functionalized, di-ionizable calix[4]arene-crown-6 isomers are utilized to assess the effects of this structural modification on metal ion complexation abilities of the ligands. The observed effects are compared with those reported for analogous di-ionizable calix[4]arene-crown-5 structural isomers. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.103
• 作为产物：
  描述：

  二对甲苯磺酸戊乙二醇 、 11,23-dibromo-26,28-dimethoxycalix<4>arene 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.5h， 以73%的产率得到5,17-dibromo-25,27-dimethoxycalix[4]arene-crown-6
  参考文献：
  名称：

  Comparison of upper and lower rim-functionalized, di-ionizable calix[4]arene-crown-6 structural isomers in divalent metal ion extraction

  摘要：

  Upper rim-functionalized, di-ionizable calix[4]arene-crown-6 ligands are synthesized and compared with structural isomers having the two acidic side arms attached to the lower rim. Solvent extractions of selected divalent metal cations (alkaline earth metal cations, Pb2+, and Hg2+) from aqueous solutions into chloroform by the upper and lower rim-functionalized, di-ionizable calix[4]arene-crown-6 isomers are utilized to assess the effects of this structural modification on metal ion complexation abilities of the ligands. The observed effects are compared with those reported for analogous di-ionizable calix[4]arene-crown-5 structural isomers. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.103