5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrakis<(cyanopropyl)oxy>calix<4>arene | 166804-11-1

• 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-p-tert-butyl-25,26,27,28-tetrakis<(cyanopropyl)oxy>calix<4>arene
• 英文别名: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(3-cyanopropyloxy)-26,28-dihydroxy calix[4]arene；5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(3-cyanopropyloxy)-calix[4]arene；5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrakis[(cyanopropyl)oxy]calix[4]arene；4-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(3-cyanopropoxy)-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]butanenitrile
• CAS: 166804-11-1
• 化学式: C₆₀H₇₆N₄O₄
• 分子量: 917.288
• InChiKey: CGPGUXUNYOZPOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  68
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  132
• 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-p-tert-butyl-25,26,27,28-tetrakis<(cyanopropyl)oxy>calix<4>arene 在 sodium tetrahydroborate 、 cobalt(II) chloride 作用下， 以 甲醇 为溶剂， 反应 26.0h， 以84%的产率得到5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrakis<(aminobutyl)oxy>calix<4>arene
  参考文献：
  名称：

  Urea-Derivatized p-tert-Butylcalix[4]arenes: Neutral Ligands for Selective Anion Complexation

  摘要：

  Functionalization of the lower rim of p-tert-butylcalix[4]arene with four (thio)urea groups, results in a class of receptors selective for spherical onions that-are bound exclusively through hydrogen bonding. H-1 NMR spectroscopy in CDCl3 reveals a selectivity for Cl- over Br- and I-. The stoichiometry is 1:1 in all cases as was confirmed by Job plots. The association constants are strongly dependent on the nature of the substituent at the urea moiety. The bidentate phenylurea derivative 9 shows the strongest complexation (K-ass. Cl- = 7.1 x 10(3) M(-1)) and the largest selectivity for Cl-.

  DOI：

  10.1021/jo00104a044
• 作为产物：
  描述：

  4-溴丁腈 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 以81%的产率得到5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrakis<(cyanopropyl)oxy>calix<4>arene
  参考文献：
  名称：

  [EN] CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING
  [FR] MIMETIQUES A CONFORMATION PEPTIDIQUE A BASE DE CALIXARENE, PROCEDES D'UTILISATION, ET PROCEDES D'ELABORATION

  摘要：

  公开号：

  WO2006042104A3

文献信息

• Calixarene-based peptide conformation mimetics, methods of use, and methods of making
  申请人：Regents of the University of Minnesota

  公开号：EP2404895A1

  公开（公告）日：2012-01-11

  A class of topomimetic calixarene-based peptide mimetics is described. Calixarene-based peptide mimetics have various biological activities such as, for example, bactericidal activity, antiangiogenic activity, and/or antitumor activity. Methods of use and methods of designing calixarene-based peptide mimetics are described.

  本文描述了一类基于钙杂烯烃的拓扑拟态肽拟态化合物。钙杂烯类多肽拟效物具有多种生物活性，例如杀菌活性、抗血管生成活性和/或抗肿瘤活性。介绍了使用方法和设计钙杂烯类多肽模拟物的方法。
• Urea-Derivatized p-tert-Butylcalix[4]arenes: Neutral Ligands for Selective Anion Complexation
  作者：Jurgen Scheerder、Mariacristina Fochi、Johan F. J. Engbersen、David N. Reinhoudt

  DOI：10.1021/jo00104a044

  日期：1994.12

  Functionalization of the lower rim of p-tert-butylcalix[4]arene with four (thio)urea groups, results in a class of receptors selective for spherical onions that-are bound exclusively through hydrogen bonding. H-1 NMR spectroscopy in CDCl3 reveals a selectivity for Cl- over Br- and I-. The stoichiometry is 1:1 in all cases as was confirmed by Job plots. The association constants are strongly dependent on the nature of the substituent at the urea moiety. The bidentate phenylurea derivative 9 shows the strongest complexation (K-ass. Cl- = 7.1 x 10(3) M(-1)) and the largest selectivity for Cl-.
• Scheerder Jurgen, Fochi Mariacristina, Engbersen Johan F. J., Reinhoudt D+, J. Org. Chem, 59 (1994) N 25, S 7815-7820
  作者：Scheerder Jurgen, Fochi Mariacristina, Engbersen Johan F. J., Reinhoudt D+

  DOI：——

  日期：——
• CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：EP1802291B1

  公开（公告）日：2011-12-07
• Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making
  申请人：Mayo Kevin H.

  公开号：US20080300164A1

  公开（公告）日：2008-12-04

  A class of topomimetic calixarene-based peptide mimetics is described. Calixarene-based peptide mimetics have various biological activities such as, for example, bactericidal activity, antiangiogenic activity, and/or antitumor activity. Methods of use and methods of designing calixarene-based peptide mimetics are described.