| 1352566-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• CAS: 1352566-20-1
• 化学式: C₆₀H₆₃NO₁₀
• 分子量: 958.161
• InChiKey: NPKIHPYEHDOHKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.76
• 重原子数：
  71.0
• 可旋转键数：
  7.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  111.22
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 一水合肼 作用下， 以 乙醇 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  Supramolecular AA/BB-type oligomer formation from a heterotetratopic bis-calix[5]arene monomer and octanediyldiammonium dichloride

  摘要：

  A novel bis-calix[5]arene (1) with divergent cavities was prepared in four steps starting from p-methylcalix[5]arene. This molecule is composed of two calix[5]-bis-crown-3 units held together, via their narrow rims, by a N,N ''-1,4-phenylene-bis[N'-(2-ethenyloxyethyl)]diureido bridging moiety. Owing to the anion-binding ability of the ureido moieties embedded in its framework, bis-calix[5]arene 1 acts as a heterotetratopic monomer and, in the presence of 1,8-octanediyldiammonium dichloride, self-assembles into AA/BB-type polycapsular oligomers. Extensive H-1 NMR investigations have demonstrated that the nature and stoichiometry of these supramolecular oligomers are strongly dependent on the concentration and the ratio of the two monomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.104
• 作为产物：
  描述：

  5,11,17,23,29-pentamethyl-31,32,33,34,35-pentahydroxycalix<5>arene 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Supramolecular AA/BB-type oligomer formation from a heterotetratopic bis-calix[5]arene monomer and octanediyldiammonium dichloride

  摘要：

  A novel bis-calix[5]arene (1) with divergent cavities was prepared in four steps starting from p-methylcalix[5]arene. This molecule is composed of two calix[5]-bis-crown-3 units held together, via their narrow rims, by a N,N ''-1,4-phenylene-bis[N'-(2-ethenyloxyethyl)]diureido bridging moiety. Owing to the anion-binding ability of the ureido moieties embedded in its framework, bis-calix[5]arene 1 acts as a heterotetratopic monomer and, in the presence of 1,8-octanediyldiammonium dichloride, self-assembles into AA/BB-type polycapsular oligomers. Extensive H-1 NMR investigations have demonstrated that the nature and stoichiometry of these supramolecular oligomers are strongly dependent on the concentration and the ratio of the two monomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.104