5,11,17,23-Tetra-p-tert-butyl-25,27-bis<(aminobutyl)oxy>-26,28-dipropoxycalix<4>arene | 600121-51-5

• 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-p-tert-butyl-25,27-bis<(aminobutyl)oxy>-26,28-dipropoxycalix<4>arene
• 英文别名: 5,11,17,23-tetra-tert-butyl-25,27-bis[(4-aminobutyl)oxy]-26,28-dipropoxy-calix[4]arene；4-[[27-(4-Aminobutoxy)-5,11,17,23-tetratert-butyl-26,28-dipropoxy-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]butan-1-amine
• CAS: 600121-51-5；166804-19-9
• 化学式: C₅₈H₈₆N₂O₄
• 分子量: 875.332
• InChiKey: WYTWTYWSKUEQFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  64
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,11,17,23-Tetra-p-tert-butyl-25,27-bis<(aminobutyl)oxy>-26,28-dipropoxycalix<4>arene 以35%的产率得到
  参考文献：
  名称：

  Scheerder Jurgen, Fochi Mariacristina, Engbersen Johan F. J., Reinhoudt D+, J. Org. Chem, 59 (1994) N 25, S 7815-7820

  摘要：

  DOI：
• 作为产物：
  描述：

  5,11,17,23-Tetra-p-tert-butyl-25,27-bis<(cyanopropyl)oxy>-26,28-dipropoxycalix<4>arene 在 sodium tetrahydroborate 、 cobalt(II) chloride 作用下， 以 甲醇 为溶剂， 反应 26.0h， 以87%的产率得到5,11,17,23-Tetra-p-tert-butyl-25,27-bis<(aminobutyl)oxy>-26,28-dipropoxycalix<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

文献信息

• Synthesis and Structure of Lower Rim C-Linked <i>N</i>-Tosyl Peptidocalix[4]arenes
  作者：Sofiane Ben Sdira、Caroline P. Felix、Marie-Béatrice A. Giudicelli、Pascal F. Seigle-Ferrand、Monique Perrin、Roger J. Lamartine

  DOI：10.1021/jo034275j

  日期：2003.8.1

  Chiral p-tert-butylcalix[4]arenes functionalized at the lower rim with amino acid residues have been prepared. The (1)H and (13)C NMR spectra indicate that the macrocycles preferably adopt a cone conformation. Calix[4]arenes bearing amino acid moieties were prepared as a class of receptors selective for anions that are bound through hydrogen bonding with the NH group. The association constants are

  已经制备了在下边缘被氨基酸残基官能化的手性对叔丁基杯[4]芳烃。（1）H和（13）C NMR光谱表明，大环优选采用圆锥构象。带有氨基酸部分的Calix [4]芳烃被制备为对通过NH与NH基团的氢键结合的阴离子具有选择性的一类受体。缔合常数取决于下边缘的取代基的性质。衍生物9显示出对N-甲苯磺酰基-（L）-丙氨酸盐最强的络合和最大的选择性。最后，对双官能化受体6f的初步X射线晶体研究显示了固态的“扁平圆锥”构象。
• Interaction of acridine-calix[4]arene with DNA at the electrified liquid|liquid interface
  作者：Francine Kivlehan、Myriam Lefoix、Humphrey A. Moynihan、Damien Thompson、Vladimir I. Ogurtsov、Grégoire Herzog、Damien W.M. Arrigan

  DOI：10.1016/j.electacta.2010.01.042

  日期：2010.3

  The behaviour of an acridine-functionalised calix[4]arene at the interface between two immiscible electrolyte solutions (ITIES) is reported. Molecular modelling showed that the acridine-calix[4]arene has regions of significant net positive charge spread throughout the protonated acridine moieties, consistent with it being able to function as an anion ionophore. The presence of this compound in the organic phase facilitated the transfer of aqueous phase electrolyte ions. Upon addition of double stranded DNA to the aqueous phase, the transfer of electrolyte anions was diminished, due to DNA binding to the acridine moiety at the ITIES. The behaviour provides a basis for DNA hybridization detection using electrochemistry at the ITIES. (C) 2010 Elsevier Ltd. All rights reserved.