25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene | 1232692-74-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene
• 英文别名: 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tertbutylcalix[4]arene；1-Piperidin-1-yl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-piperidin-1-yl-2-sulfanylideneethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethanethione；1-piperidin-1-yl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-piperidin-1-yl-2-sulfanylideneethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethanethione
• CAS: 1232692-74-8
• 化学式: C₇₂H₁₀₀N₄O₄S₄
• 分子量: 1213.87
• InChiKey: UEJMCNINGNSTEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.1
• 重原子数：
  84
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  178
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  lead(II) perchlorate trihydrate 、 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene 以 甲醇 、 二氯甲烷 为溶剂， 生成 [Pb(25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene)(ClO4)2]
  参考文献：
  名称：

  Lower rim substituted p-tert-butyl-calix[4]arene. Part 16. Synthesis of 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions

  摘要：

  The synthesis, characterisation and X-ray crystal structures of p-tert-butyl-calix[4]arene-thioamide L and its complex with lead L-Pb2+ is reported. The cation-binding properties in solution have been assessed by liquid-liquid extraction of the metal picrates from water into dichloromethane and by stability constants determination in acetonitrile using UV-absorption spectrophotometry or potentiometry. The compound was used as active material in Pb-ion-selective membrane electrodes. The characteristics of these electrodes as well as the selectivity coefficients for Pb2+ cation versus many metal ions tested were obtained. Complex formation constants within the electrode membranes were determined using the sandwich membrane method and were compared to those obtained in acetonitrile. The lead concentration in the scrap-lead was determined with the use of electrodes incorporating the ligand studied. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.09.038
• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)methylenecalix[4]arene 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以49%的产率得到25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene
  参考文献：
  名称：

  Lower rim substituted p-tert-butyl-calix[4]arene. Part 16. Synthesis of 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions

  摘要：

  The synthesis, characterisation and X-ray crystal structures of p-tert-butyl-calix[4]arene-thioamide L and its complex with lead L-Pb2+ is reported. The cation-binding properties in solution have been assessed by liquid-liquid extraction of the metal picrates from water into dichloromethane and by stability constants determination in acetonitrile using UV-absorption spectrophotometry or potentiometry. The compound was used as active material in Pb-ion-selective membrane electrodes. The characteristics of these electrodes as well as the selectivity coefficients for Pb2+ cation versus many metal ions tested were obtained. Complex formation constants within the electrode membranes were determined using the sandwich membrane method and were compared to those obtained in acetonitrile. The lead concentration in the scrap-lead was determined with the use of electrodes incorporating the ligand studied. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.09.038