(2R,4R,6S,8S)-15,35,55,75-tetrabromo-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol | 1146206-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2R,4R,6S,8S)-15,35,55,75-tetrabromo-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol
• CAS: 1146206-89-4
• 化学式: C₆₈H₄₄Br₄O₈
• 分子量: 1308.71
• InChiKey: BZKYRRDRZGKRJT-RJRMSYMNSA-N

物化性质

• 熔点：
  233-235 °C
• 密度：
  1.683±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  18.03
• 重原子数：
  80.0
• 可旋转键数：
  4.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  161.84
• 氢给体数：
  8.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (2R,4R,6S,8S)-15,35,55,75-tetrabromo-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 18.0h， 以75%的产率得到
  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
• 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 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以88%的产率得到(2R,4R,6S,8S)-15,35,55,75-tetrabromo-2,4,6,8-tetra(naphthalen-1-yl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol
  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