19,27,47,55-Tetraphenyl-3,6,9,12,15,23,31,34,37,40,43,51-dodecaoxaheptacyclo[27.27.1.117,45.02,53.016,21.025,30.044,49]octapentaconta-1,16,18,20,25,27,29,44,46,48,53,55-dodecaene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 19,27,47,55-Tetraphenyl-3,6,9,12,15,23,31,34,37,40,43,51-dodecaoxaheptacyclo[27.27.1.117,45.02,53.016,21.025,30.044,49]octapentaconta-1,16,18,20,25,27,29,44,46,48,53,55-dodecaene
• 化学式: C₇₀H₇₂O₁₂
• 分子量: 1105.33
• InChiKey: IPVPIUHTHIRAOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  82
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 、 7,13,21,27-tetraphenyl-29,30,31,32-tetrahydroxy-2,3,16,17-tetrahomo-3,17-dioxacalix[4]arene 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以25.7%的产率得到19,27,47,55-Tetraphenyl-3,6,9,12,15,23,31,34,37,40,43,51-dodecaoxaheptacyclo[27.27.1.117,45.02,53.016,21.025,30.044,49]octapentaconta-1,16,18,20,25,27,29,44,46,48,53,55-dodecaene
  参考文献：
  名称：

  A Series of Tetrahomodioxacalix[4]biscrown-n. Syntheses, Crystal Structures, and Metal Binding Abilities

  摘要：

  A series of novel tetrahomodioxacalix[4]biscrowns with crown-2, crown-3, crown-4, crown-5, and crown-6 units were synthesized. Conformations of each product are dependent on the base used and their conformation stabilities. All conformations were proven by NMR spectra and/or X-ray crystal structures. The 1,3-alternate homodioxacalix[4]biscrown-4 (4b) shows the best selectivity for K+, whereas the 1,3-alternate homodioxacalix[4]crown-5 (5) does for Cs+. Those selectivities are attributable to electrostatic interaction between the metal ion and the crown ring, as well as a pi-metal complexation. However, the C-1,2-alternate conformation does not take the metal ions regardless of the crown species as a result of steric hindrance from the methylene bridge of an ArCH2Ar unit.

  DOI：

  10.1021/jo049107l

文献信息

• A Series of Tetrahomodioxacalix[4]biscrown-<i>n</i>. Syntheses, Crystal Structures, and Metal Binding Abilities
  作者：Kwanghyun No、Ju Han Bok、Il Hwan Suh、Sang Ook Kang、Jaejung Ko、Kye Chun Nam、Jong Seung Kim

  DOI：10.1021/jo049107l

  日期：2004.10.1

  A series of novel tetrahomodioxacalix[4]biscrowns with crown-2, crown-3, crown-4, crown-5, and crown-6 units were synthesized. Conformations of each product are dependent on the base used and their conformation stabilities. All conformations were proven by NMR spectra and/or X-ray crystal structures. The 1,3-alternate homodioxacalix[4]biscrown-4 (4b) shows the best selectivity for K+, whereas the 1,3-alternate homodioxacalix[4]crown-5 (5) does for Cs+. Those selectivities are attributable to electrostatic interaction between the metal ion and the crown ring, as well as a pi-metal complexation. However, the C-1,2-alternate conformation does not take the metal ions regardless of the crown species as a result of steric hindrance from the methylene bridge of an ArCH2Ar unit.