| 1335144-74-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 1335144-74-5
• 化学式: C₇H₇O₂*C₄₆H₅₂N₄O₈S₂*Cs
• 分子量: 1109.11
• InChiKey: BBLGRDUNGKTOGV-FPJUGJCGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  70.0
• 可旋转键数：
  11.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  216.33
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  5,10,15,20,22,24-hexahydro-5,5,10,15,15,20-hexamethyl-10α,20β-bis[4-(2-methoxycarbonylethyl-1-sulfonyl)phenyl]-calix[4]pyrrole 、 4-甲氧基苯酚 在 caesium carbonate 作用下， 以 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structural features of sulfur-substituted calix[4]pyrrole for a bottom-up control of the substrate-directed self-assembly of supramolecular structures

  摘要：

  The synthesis of six new calix[4]pyrroles, containing sulfur-substituted phenylene units is reported. Halogen-anions and organic aromatic mono- and bis-anions have been selected to explore the formation of host-guest complexes and the possible self-assembly of multi-component structures with the six calixpyrroles. The type of aryl substitution modulates the strength of binding and the selectivity towards different anions and, in some cases, the combination of receptors and bis-anionic precursors, offers a way to build systems in which capsular assemblies are observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.07.082