5,11,17,23-tetra(tert-butyl)-26,28-bis<(6-methyl-2,2'-bipyridyl-6'-yl)methoxy>calix<4>arene-25,27-diol | 162845-58-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5,11,17,23-tetra(tert-butyl)-26,28-bis<(6-methyl-2,2'-bipyridyl-6'-yl)methoxy>calix<4>arene-25,27-diol
• 英文别名: 5,11,17,23-Tetratert-butyl-26,28-bis[[6-(6-methylpyridin-2-yl)pyridin-2-yl]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；5,11,17,23-tetratert-butyl-26,28-bis[[6-(6-methylpyridin-2-yl)pyridin-2-yl]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: 162845-58-1
• 化学式: C₆₈H₇₆N₄O₄
• 分子量: 1013.38
• InChiKey: YWMXLZGJSIMOQX-UHFFFAOYSA-N

物化性质

• 密度：
  1.124±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  76
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetra(tert-butyl)-26,28-bis<(6-methyl-2,2'-bipyridyl-6'-yl)methoxy>calix<4>arene-25,27-diol 在 sodium hydride 、 三氟乙酸 、 potassium iodide 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Canevet, Christophe; Libman, Jaqueline; Shanzer, Abraham, Angewandte Chemie, 1996, vol. 108, # 22, p. 2842 - 2845

  摘要：

  DOI：
• 作为产物：
  描述：

  6,6'-二甲基-2,2'-联吡啶 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5,11,17,23-tetra(tert-butyl)-26,28-bis<(6-methyl-2,2'-bipyridyl-6'-yl)methoxy>calix<4>arene-25,27-diol
  参考文献：
  名称：

  Canevet, Christophe; Libman, Jaqueline; Shanzer, Abraham, Angewandte Chemie, 1996, vol. 108, # 22, p. 2842 - 2845

  摘要：

  DOI：

文献信息

• Synthesis and Complexation Properties of a New Class of Receptors based on a cone-configurated tetra-p-(tert-butyl)calix[4]arene and bipyridyl subunits
  作者：Jean-Bernard Regnouf de Vains、Roger Lamartine

  DOI：10.1002/hlca.19940770713

  日期：1994.11.2

  0The bipyridyl-armed tetra-p-(tert-butyl)calix[4]arenes 1–5 were synthesized from tetra-p-(tert-butyl)-calix[4]arene A and 6-(bromomethyl)-6′-methyl-2,2′-bipyridine (B) by direct base-strength-driven regioselective O-alkylation or by stepwise procedures. Preliminary complexation studies of the ligands 1–3 with CuI affording the complexes 6–8 are described.

  0The联吡啶武装四- p - （叔丁基）杯[4]芳烃1 - 5是从四-合成p - （叔丁基）-calix [4]芳烃甲和6-（溴甲基）-6'-甲基-2,2'-联吡啶（B）通过直接碱强度驱动的区域选择性O烷基化或逐步操作来实现。的配位体的络合初步研究1 - 3与铜我得到的配合物6 - 8中描述。
• Quantitative solvent extraction from neutral aqueous nitrate media of silver(I) against lead(II) with a new calix[4]arene-based bipyridine podand
  作者：Jean-Bernard Regnouf-de-Vains、Jean-Olivier Dalbavie、Roger Lamartine、B Fenet

  DOI：10.1016/s0040-4039(01)00262-3

  日期：2001.4

  A new calix[4]arene-based podand incorporating two 2,2′-bipyridine and two benzyl units in alternate positions at the lower rim was shown to quantitatively extract silver(I) from neutral aqueous solutions containing a mixture of lead and silver nitrates. The corresponding AgPF6 complex was synthesised and characterised.

  一种新的基于杯[4]芳烃的豆荚在下部边缘的交替位置上包含两个2,2'-联吡啶和两个苄基单元，已显示可从含铅和硝酸银混合物的中性水溶液中定量提取银（I） 。合成并表征了相应的AgPF 6配合物。
• Synthesis and Reductive Complexation Properties of a Cone-Configurated Tetra[p-(tert-butyl)]calix[4]arene incorporating bipyridyl and pyridine subunits. NMR characterization and crystal structure of its chiral copper(I) complex
  作者：Jean-Bernard Regnouf De Vains、Roger Lamartine、Bernard Fenet、Claude Bavoux、Alain Thozet、Monique Perrin

  DOI：10.1002/hlca.19950780615

  日期：1995.9.20

  hetero-armed p(tert-butyl)calix[4]arene 1 was synthesized by a stepwise procedure. This ligand presented a very strong complexing behavior towards Cu1, giving the chiral complex 2 and parent species when reacted with CuII salts. High-resolution NMR techniques were employed for the characterization of 2, demonstrating notably exchange processes between its two enantiomeric forms. The racemic nature

  通过分步法合成杂武装对（叔丁基）杯[4]芳烃1。该配体表现出对Cu 1的非常强的络合行为，当与Cu II盐反应时可得到手性络合物2和母体。高分辨率NMR技术用于2的表征，特别表明了其两种对映体形式之间的交换过程。X射线晶体结构分析证实了2的外消旋性质。
• Cu(I) and Zn(II) chelations on polymer beads modified by attachment of a bipyridyl-calixarene-based chelate
  作者：Yannick de Gaetano、Igor Clarot、Jean-Bernard Regnouf-de-Vains

  DOI：10.1016/j.tetlet.2009.07.131

  日期：2009.10

  A new chelating calix[4]arene derivative incorporating two bipyridyl groups and one primary amino attachment function at the lower rim has been synthesised and coupled to Wang benzaldehyde resin. The new material effectively displayed complexation abilities towards Cu(I) and Zn(II) transition metal cations. The grafting efficiency was evaluated and quantified by complexation experiments, using UV/visible spectrophotometry, and ionic chromatography. (C) 2009 Published by Elsevier Ltd.
• Canevet, Christophe; Libman, Jaqueline; Shanzer, Abraham, Angewandte Chemie, 1996, vol. 108, # 22, p. 2842 - 2845
  作者：Canevet, Christophe、Libman, Jaqueline、Shanzer, Abraham

  DOI：——

  日期：——