26,28-bis(benzyloxy)-5,17-di-tert-butyl-25,27-dihydroxy-11,23-dinitrocalix[4]arene | 181711-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 26,28-bis(benzyloxy)-5,17-di-tert-butyl-25,27-dihydroxy-11,23-dinitrocalix[4]arene
• 英文别名: 5,17-di-tert-butyl-11,23-dinitro-25,27-dibenzyloxycalyx[4]arene；5,17-dinitro-11,23-di-tert-butyl-25,27-dihydroxy-26,28-bis(benzyloxy)calix[4]arene；5,17-Ditert-butyl-11,23-dinitro-26,28-bis(phenylmethoxy)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: 181711-27-3
• 化学式: C₅₀H₅₀N₂O₈
• 分子量: 806.956
• InChiKey: WATTXTDVKVALQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  26,28-bis(benzyloxy)-5,17-di-tert-butyl-25,27-dihydroxy-11,23-dinitrocalix[4]arene 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 5,17-di-tert-butyl-11,23-diamino-25,27-dibenzyloxycalyx[4]arene
  参考文献：
  名称：

  Synthesis and characterization of heteroarylthio derivatives of 5,17-di-tert-butyl-11,23-diamido-25, 27-diprotected calix[4]arene

  摘要：

  已合成并通过IR、¹H NMR、¹³C NMR和MS进行表征的一系列卡利克斯[4]芳烃的2-吡啶硫基和2-嘧啶硫基衍生物。

  DOI：

  10.1515/hc-2012-0154
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 在 硝酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 26,28-bis(benzyloxy)-5,17-di-tert-butyl-25,27-dihydroxy-11,23-dinitrocalix[4]arene
  参考文献：
  名称：

  Synthesis and characterization of heteroarylthio derivatives of 5,17-di-tert-butyl-11,23-diamido-25, 27-diprotected calix[4]arene

  摘要：

  已合成并通过IR、¹H NMR、¹³C NMR和MS进行表征的一系列卡利克斯[4]芳烃的2-吡啶硫基和2-嘧啶硫基衍生物。

  DOI：

  10.1515/hc-2012-0154

文献信息

• ——
  作者：I. S. Antipin、I. I. Stoikov、A. A. Khrustalev、A. I. Konovalov

  DOI：10.1023/a:1015005502810

  日期：——

  A new type of macrocyclic receptor able to bind organic Substrates containing carboxy and carboxylate groups was designed on the basis of 1,3-disubstituted calix[4]arenes. A series of disubstitited calix[4]arenes were prepared in 60-80% yields by selective 1,3-alkylation of p-tert-butylcalix[4]arene. The compounds obtained were tested as carriers for DL-tartaric, glycolic, DL-amygdalic, and DL-glutamic acids through liquid membranes immobilized on a polymer matrix. The structural factors favorable for the transport of these hydrophilic substrates through lipophilic membranes were established.
• Wide- and narrow-rim functionalised calix[4]arenes: synthesis and characterisation
  作者：Bernadette S. Creaven、Tammy L. Gernon、John McGinley、Ann-Marie Moore、Hans Toftlund

  DOI：10.1016/j.tet.2006.06.096

  日期：2006.9

  Functionalisation of calix[4]arene at both the wide and narrow rims leads to the formation of compounds containing bipyridyl, via an amide linkage, at the wide rim and having either a butyl chain, a benzyl group or an alkyl ester functionality at the narrow rim. All compounds were characterised using H-1 and C-13 NMR spectroscopies. Initial binding studies with Ru(bipy)(2)Cl-2 are reported. (c) 2006 Elsevier Ltd. All rights reserved.
• Selective ipso-nitration of tert-butylcalix[4]arene 1,3-diethers: X-ray structure of an unexpected side product
  作者：Oliver Mogck、Volker Böhmer、George Ferguson、Walter Vogt

  DOI：10.1039/p19960001711

  日期：——

  1,3-Diether derivatives of tert-butylcalix[4] arene can be selectively nitrated at the para-position of the phenolic units, In this way calix[4]arenes bearing tert-butyl and nitro groups at the upper rim in alternating sequence are easily available in yields up to 75%, Ipso-attack may also occur ortho to the phenolic hydroxy group leading in a side reaction to macrocyclic compounds with two 6-nitrocyclohexa-2,4-dienone units. Both types of structures were established by single crystal X-ray analysis.
• Synthesis and characterization of heteroarylthio derivatives of 5,17-di-<i>tert</i>-butyl-11,23-diamido-25, 27-diprotected calix[4]arene
  作者：Bing Zhao、Yao-Yu Ruan、Qi-Gang Deng、Li-Yan Wang、Bo Song、Ya-Qing Feng

  DOI：10.1515/hc-2012-0154

  日期：2013.3.1

  A series of 2-pyridylthio and 2-pyrimidinylthio derivatives of calix[4]arene have been synthesized and characterized by IR, ¹H NMR, ¹³C NMR and MS.

  已合成并通过IR、¹H NMR、¹³C NMR和MS进行表征的一系列卡利克斯[4]芳烃的2-吡啶硫基和2-嘧啶硫基衍生物。