25,26,27,28-tetrakis(N,N-methylhydroxycarbamoylmethoxy)-p-tert-butylcalix[4]arene

• 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(N,N-methylhydroxycarbamoylmethoxy)-p-tert-butylcalix[4]arene
• 英文别名: 25,26,27,28-tetrakis(N-methyl-N-hydroxycarbamoylmethoxy)-p-tert-butylcalix[4]arene；N-hydroxy-N-methyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-[hydroxy(methyl)amino]-2-oxoethoxy]-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]acetamide
• 化学式: C₅₆H₇₆N₄O₁₂
• 分子量: 997.239
• InChiKey: XVDUOZMBKZLFKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  72
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  199
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-叔丁基杯[4]芳烃-四乙酸乙酯 在 氢氧化钾 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.67h， 生成 25,26,27,28-tetrakis(N,N-methylhydroxycarbamoylmethoxy)-p-tert-butylcalix[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 p-tert-butyl-calix[4]arene. Part 17. Synthesis, extractive and ionophoric properties of p-tert-butylcalix[4]arene appended with hydroxamic acid moieties
  作者：J. Kulesza、M. Guzinski、M. Bochenska、V. Hubscher-Bruder、F. Arnaud-Neu

  DOI：10.1016/j.poly.2014.04.009

  日期：2014.7

  The synthesis and characterization of four p-tert-butylcalix[4]arene-hydroxamic acids are reported. The dependence of the metal ion binding, assessed by liquid-liquid extraction of the metal nitrates from water into dichloromethane in individual and competitive experiments, on the ligand structure, is presented. The results showed that those ligands could be successfully used in separation process of transition and heavy metals often present together. Two of the ligands were used as active materials in Pb-ion-selective membrane electrodes. The characteristics of these electrodes, in particular their selectivity coefficients for Pb2+ over other metal ions, are discussed. (C) 2014 Elsevier Ltd. All rights reserved.
• Lower-Rim-Substituted <i>tert</i>-Butylcalix[4]arenes; Part IX: One-Pot Synthesis of Calix[4]arene-Hydroxamates and Calix[4]arene-Amides
  作者：Maria Bocheńska、Urszula Lesińska

  DOI：10.1055/s-2006-942486

  日期：2006.8

  A simple method for selective acylation of protected and unprotected hydroxylamines with bis- and tetrakis-substituted p-tert-butylcalix[4]arene-acids through amide bond formation via mixed anhydrides is presented. The first crystal structure of calix-hydroxamate 1 is presented.

  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。