2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4R,6S,8S)-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(5,5-dimethyl-1,3,2-dioxaphosphinane) | 1146206-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4R,6S,8S)-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(5,5-dimethyl-1,3,2-dioxaphosphinane)
• CAS: 1146206-86-1
• 化学式: C₁₀₈H₁₂₀O₂₄P₈
• 分子量: 2049.92
• InChiKey: AFQRUFJUFYYOMC-KZLGCOHJSA-N

物化性质

• 熔点：
  >360 °C

计算性质

• 辛醇/水分配系数(LogP)：
  30.76
• 重原子数：
  140.0
• 可旋转键数：
  20.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  221.52
• 氢给体数：
  0.0
• 氢受体数：
  24.0

反应信息

• 作为产物：
  描述：

  (2R,4R,6S,8S)-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol 、 2-diethylamino-5,5-dimethyl-1,3,2-dioxaphosphorinane 以 1,4-二氧六环 为溶剂， 反应 10.0h， 以67%的产率得到2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4R,6S,8S)-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(5,5-dimethyl-1,3,2-dioxaphosphinane)
  参考文献：
  名称：

  Sterically oriented synthesis and structure of new perphosphorylated resorcinarenes

  摘要：

  Tetraarylresorcinarenes in a chair conformation of C-2h symmetry were synthesized by sterically oriented condensation of aromatic aldehydes with resorcinol and 2-methylresorcinol. By further phosphorylation of resorcinarenes with phosphorous amides perphosphorylated derivatives were obtained with rctt configuration of substituents at internuclear methylidene bridges. Structure of these compounds was proved using NMR spectroscopy and X-ray diffraction analysis.

  DOI：

  10.1134/s1070363208030092