5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis((pentafluorophenyl)methoxy)calix[4]arene | 845822-75-5

• 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-tetra-tert-butyl-25,27-dihydroxy-26,28-bis((pentafluorophenyl)methoxy)calix[4]arene
• 英文别名: 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis(pentafluorophenylmethoxy)calix[4]arene；5,11,17,23-Tetratert-butyl-26,28-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]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-dodecaene-25,27-diol
• CAS: 845822-75-5
• 化学式: C₅₈H₅₈F₁₀O₄
• 分子量: 1009.08
• InChiKey: AONXXQJKXQQJFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  72
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis((pentafluorophenyl)methoxy)calix[4]arene 在 硝酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以46%的产率得到5,17-di-tert-butyl-11,23-dinitro-25,27-bis(pentafluorophenyl)-26,28-dihydroxycalix[4]arene
  参考文献：
  名称：

  New membrane carrier for glutamic acid based on p-tert-butylcalix[4]arene 1,3-disubstituted at the lower rim

  摘要：

  Calix[4]arenes 1,3-disubstituted at the lower rim were synthesized and their receptor ability toward dicarboxylic, alpha-hydroxy and amino acids was investigated. A new synthetic receptor for glutamic acid based on 1,3-disubstituted calix[4]arene was suggested.

  DOI：

  10.1016/j.mencom.2009.05.018
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以86%的产率得到5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis((pentafluorophenyl)methoxy)calix[4]arene
  参考文献：
  名称：

  Choline Esterase Inhibitors and Synthetic Oxalic Acid Receptors Based on Calix[4]arene Derivatives

  摘要：

  提出了基于杯[4]芳烃衍生物的新型可逆丁酰胆碱酯酶抑制剂。制备了一系列新的远端二取代杯[4]芳烃，产率为 60-80%。其中一些化合物表现出可逆胆碱酯酶效应物的特性，在低浓度下激活它，在高浓度下抑制它。制备的大环化合物在d,l-酒石酸、乙醇酸、d,l-扁桃酸、d,l-谷氨酸、丙二酸、草酸和琥珀酸以及乙酸钠的提取中进行了测试。在具有含氮取代基的杯[4]芳烃的作用下，草酸有效地通过液体浸渍膜转移。

  DOI：

  10.1007/s11176-005-0213-2

文献信息

• Synthetic receptors based on calix[4]arene functionalized at the lower rim in molecular recognition of dicarboxylic,  -hydroxycarboxylic, and  -amino acids
  作者：I. I. Stoikov、L. I. Gafiullina、D. Sh. Ibragimova、I. S. Antipin、A. I. Konovalov

  DOI：10.1023/b:rucb.0000042270.26330.cb

  日期：2004.6

  New calix[4]arenes, di- and tetrasubstituted at the lower rim, with different functional groups were synthesized. They were studied as carriers of a series of dicarboxylic and α-hydroxycarboxylic acids through a liquid impregnated membrane. The calix[4]arenes under study are capable of molecular recognition of oxalic acid in the series of structurally similar dicarboxylic and α-hydroxycarboxylic acids

  合成了新的杯[4]芳烃，在下缘被二取代和四取代，具有不同的官能团。它们通过液体浸渍膜作为一系列二羧酸和 α-羟基羧酸的载体进行研究。正在研究的杯[4]芳烃能够分子识别一系列结构相似的二羧酸和α-羟基羧酸中的草酸。发现的规律使得通过取代基性质的变化有目的地改变1,3-二取代杯[4]芳烃的受体能力成为可能。
• Choline Esterase Inhibitors and Synthetic Oxalic Acid Receptors Based on Calix[4]arene Derivatives
  作者：I. I. Stoikov、A. A. Khrustalev、D. Sh. Ibragimova、E. E. Stoikova、G. A. Evtyugin、I. S. Antipin、A. I. Konovalov

  DOI：10.1007/s11176-005-0213-2

  日期：2005.2

  New reversible butyrylcholine esterase inhibitors based on calix[4]arene derivatives were suggested. A series of new distally disubstituted calix[4]arenes were prepared in 60–80% yields. Some of these compounds showed properties of reversible choline esterase effectors, activating it at low concentrations and inhibiting at high concentrations. The macrocycles prepared were tested in extraction of d,l-tartaric, glycolic, d,l-mandelic, d,l-glutamic, malonic, oxalic, and succinic acids and of sodium acetate. Oxalic acid is efficiently transferred through a liquid impregnated membrane under the action of calix[4]arenes with nitrogen-containing substituents.

  提出了基于杯[4]芳烃衍生物的新型可逆丁酰胆碱酯酶抑制剂。制备了一系列新的远端二取代杯[4]芳烃，产率为 60-80%。其中一些化合物表现出可逆胆碱酯酶效应物的特性，在低浓度下激活它，在高浓度下抑制它。制备的大环化合物在d,l-酒石酸、乙醇酸、d,l-扁桃酸、d,l-谷氨酸、丙二酸、草酸和琥珀酸以及乙酸钠的提取中进行了测试。在具有含氮取代基的杯[4]芳烃的作用下，草酸有效地通过液体浸渍膜转移。
• New membrane carrier for glutamic acid based on p-tert-butylcalix[4]arene 1,3-disubstituted at the lower rim
  作者：Ivan I. Stoikov、Maria N. Agafonova、Pavel L. Padnya、Evgeny N. Zaikov、Igor S. Antipin

  DOI：10.1016/j.mencom.2009.05.018

  日期：2009.5

  Calix[4]arenes 1,3-disubstituted at the lower rim were synthesized and their receptor ability toward dicarboxylic, alpha-hydroxy and amino acids was investigated. A new synthetic receptor for glutamic acid based on 1,3-disubstituted calix[4]arene was suggested.