5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)methylenecalix[4]arene | 353236-41-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)methylenecalix[4]arene
• 英文别名: 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tertbutylcalix[4]arene；25,26,27,28-tetrakis(piperidylcarbamoylmethoxy)-p-tert-butylcalix[4]arene；1-Piperidin-1-yl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-oxo-2-piperidin-1-ylethoxy)-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]ethanone
• CAS: 353236-41-6
• 化学式: C₇₂H₁₀₀N₄O₈
• 分子量: 1149.61
• InChiKey: OEAOHKLNAQFARR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 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：
  118
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,26,27,28-tetracarboxymethoxycalix[4]arene 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.67h， 生成 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)methylenecalix[4]arene
  参考文献：
  名称：

  Lower-Rim-Substituted tert-Butylcalix[4]arenes; Part IX: One-Pot Synthesis of Calix[4]arene-Hydroxamates and Calix[4]arene-Amides

  摘要：

  提出了一种通过混合酸酐形成酰胺键，对保护和未保护的羟胺进行选择性酰化的简单方法，采用了双取代和四取代的对叔丁基钙克[4]芳酸。此外，首次提供了钙克羟肼化合物1的晶体结构。

  DOI：

  10.1055/s-2006-942486

文献信息

• Lower rim substituted tert-butylcalix[4]arenes (II). Complexing ability of 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)methylenecalix[4]arene. The crystal structures of the ligand and its sodium complex
  作者：Maria Bocheńska、Anna Zielińska、Victor Ch Kravtsov、Maria Gdaniec、Emilia Luks、Wanda Radecka-Paryzek

  DOI：10.1016/s0277-5387(02)00834-3

  日期：2002.4

  Abstract The sodium(I) chloride and yttrium(III), lanthanum(III), samarium(III) and gadolinium(III) nitrate complexes of 5,11,17,23-tetra- tert -butyl-25,26,27,28-tetrakis(piperidinylcarbonyl)methylene)calix[4]arene were prepared in direct reaction of the ligand and appriopriate metal salts and characterized by spectral data (IR, UV–Vis, 1 H NMR, FAB MS), and elemental analysis. The transmetallation

  摘要5,11,17,23-四叔丁基-25,26,27，的氯化钠（I）和钇（III），镧（III），sa（III）和ado（III）硝酸盐配合物在配体和适当的金属盐直接反应中制备了28-四（哌啶基羰基）亚甲基）杯[4]芳烃，并通过光谱数据（IR，UV-Vis，1 H NMR，FAB MS）和元素分析对其进行了表征。还实现了镧系元素离子对钠配合物的金属转移反应。配体及其钠配合物的晶体结构通过单X射线分析确定。