2,2'-((15,35,55,75-tetra-tert-butyl-32,72-dihydroxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(1-(4-nitrophenyl)ethan-1-one) | 1095236-17-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2'-((15,35,55,75-tetra-tert-butyl-32,72-dihydroxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(1-(4-nitrophenyl)ethan-1-one)
• CAS: 1095236-17-1
• 化学式: C₅₆H₅₈N₂O₁₀S₄
• 分子量: 1047.35
• InChiKey: BGFHHYLAAXYQQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.55
• 重原子数：
  72.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  179.34
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  2,2'-((15,35,55,75-tetra-tert-butyl-32,72-dihydroxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(1-(4-nitrophenyl)ethan-1-one) 在 溴 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis, Separation and Characterization of Thiacalix[4]arenes Diastereomers

  摘要：

  Two different 1, 3-Distal thiacalix[4]arenas were prepared by the reaction of thiacalix[4]arene with phenacyl and for p-vitro phenacyl bromide in acetone or acetonitrile in the presence of dry CsOH. The prepared 1, 3-distal disubstituted thiacalixarenes afforded two pairs of diastereomers upon brominating in chloroform. The obtained diastereomers were separated by fractional crystallization in a mixture dichloromethane-acetone.

  DOI：

  10.1080/10426500701564183
• 作为产物：
  描述：

  2-溴-4'-硝基苯乙酮 、 4-叔丁基硫杂杯[4]芳烃 在 cesium hydroxide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以75%的产率得到2,2'-((15,35,55,75-tetra-tert-butyl-32,72-dihydroxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(1-(4-nitrophenyl)ethan-1-one)
  参考文献：
  名称：

  Synthesis, Separation and Characterization of Thiacalix[4]arenes Diastereomers

  摘要：

  Two different 1, 3-Distal thiacalix[4]arenas were prepared by the reaction of thiacalix[4]arene with phenacyl and for p-vitro phenacyl bromide in acetone or acetonitrile in the presence of dry CsOH. The prepared 1, 3-distal disubstituted thiacalixarenes afforded two pairs of diastereomers upon brominating in chloroform. The obtained diastereomers were separated by fractional crystallization in a mixture dichloromethane-acetone.

  DOI：

  10.1080/10426500701564183