5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis[3-(N-trifluoromethanesulfonylcarbamoyl)butoxy]calix[4]arene-1,2-crown-4 | 1414960-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis[3-(N-trifluoromethanesulfonylcarbamoyl)butoxy]calix[4]arene-1,2-crown-4
• 英文别名: 5-[[3,9,15,21-tetratert-butyl-38-[5-oxo-5-(trifluoromethylsulfonylamino)pentoxy]-25,28,31,34-tetraoxahexacyclo[21.12.1.17,11.113,17.05,35.019,24]octatriaconta-1(35),2,4,7(38),8,10,13,15,17(37),19,21,23-dodecaen-37-yl]oxy]-N-(trifluoromethylsulfonyl)pentanamide
• CAS: 1414960-27-2
• 化学式: C₆₂H₈₂F₆N₂O₁₂S₂
• 分子量: 1225.46
• InChiKey: BOXSYISMGYCOGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  84
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  199
• 氢给体数：
  2
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis[4-(ethoxycarbonyl)butoxy]calix[4]arene-1,2-crown-4 在 草酰氯 、 四甲基氢氧化铵 、 水 、 sodium hydride 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 32.0h， 生成 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis[3-(N-trifluoromethanesulfonylcarbamoyl)butoxy]calix[4]arene-1,2-crown-4
  参考文献：
  名称：

  New di-ionizable p-tert-butylcalix[4]arene-1,2-crown-4 ligands: synthesis and divalent metal ion extraction

  摘要：

  New di-ionizable p-tert-butylcalix[4]arene-1,2-crown-4 ligands with elongated side arms in cone, partial-cone, and 1,2-alternate conformations of the calixarene scaffold are prepared and characterized. The acidic groups on the side arms include carboxylic acid and N-(X)sulfonyl carboxamide with X variation of -Me, -Ph, -C6H4-4-NO2, and -CF3. Solvent extractions of alkaline earth metal cations, Hg2+, and Pb2+ from aqueous solutions into chloroform are employed to probe the effects of these structural modifications on the divalent metal ion complexation behavior of the new ligands. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.065

文献信息

• New di-ionizable p-tert-butylcalix[4]arene-1,2-crown-4 ligands: synthesis and divalent metal ion extraction
  作者：Amanda L. Boston、Eun Kyung Lee、Jennifer D. Crawford、Robert E. Hanes、Richard A. Bartsch

  DOI：10.1016/j.tet.2012.09.065

  日期：2012.12

  New di-ionizable p-tert-butylcalix[4]arene-1,2-crown-4 ligands with elongated side arms in cone, partial-cone, and 1,2-alternate conformations of the calixarene scaffold are prepared and characterized. The acidic groups on the side arms include carboxylic acid and N-(X)sulfonyl carboxamide with X variation of -Me, -Ph, -C6H4-4-NO2, and -CF3. Solvent extractions of alkaline earth metal cations, Hg2+, and Pb2+ from aqueous solutions into chloroform are employed to probe the effects of these structural modifications on the divalent metal ion complexation behavior of the new ligands. (c) 2012 Elsevier Ltd. All rights reserved.