48-[2-(2-Chloroethoxy)ethoxy]-3,9,23,29,44-pentamethyl-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaene | 1352566-19-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 48-[2-(2-Chloroethoxy)ethoxy]-3,9,23,29,44-pentamethyl-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaene
• CAS: 1352566-19-8
• 化学式: C₅₂H₅₉ClO₈
• 分子量: 847.489
• InChiKey: AMBIWTPKQIHVFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  48-[2-(2-Chloroethoxy)ethoxy]-3,9,23,29,44-pentamethyl-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaene 、 n-octylammonium picrate 以 氘代氯仿 、 氘代甲醇 为溶剂， 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
• 作为产物：
  描述：

  5,11,17,23,29-pentamethyl-31,32,33,34,35-pentahydroxycalix<5>arene 、 2-(2-chloroethoxy)ethyl tosylate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以29%的产率得到48-[2-(2-Chloroethoxy)ethoxy]-3,9,23,29,44-pentamethyl-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaene
  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