| 300811-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 300811-65-8
• 化学式: C₄₂H₂₇BrN₂O₂
• 分子量: 671.593
• InChiKey: CLKJYINBGPOXOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.32
• 重原子数：
  47.0
• 可旋转键数：
  6.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  44.24
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 反应 12.0h， 以98%的产率得到16-Bromo-8,25-diazaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,10,13,15,17,19,21(30),22,24(29),27-tridecaene-7,26-dione
  参考文献：
  名称：

  Chiral Discrimination in Hydrogen-Bonded [7]Helicenes

  摘要：

  [GRAPHICS]A series of racemic [7]helicenes have been prepared and characterized both in solution and in the solid state. Despite the helicenes having the ability to self-assemble in a variety of stereochemical and topological relationships, they formed only enantiomerically pure dimers held together by two pairs of cooperative hydrogen bonds. The self-assembly process was enantiospecific in solution and diastereoselective in the crystal.

  DOI：

  10.1021/ol006366y
• 作为产物：
  描述：

  在 碘 、 methyloxirane 作用下， 以 苯 为溶剂， 反应 12.0h， 以63%的产率得到
  参考文献：
  名称：

  Chiral Discrimination in Hydrogen-Bonded [7]Helicenes

  摘要：

  [GRAPHICS]A series of racemic [7]helicenes have been prepared and characterized both in solution and in the solid state. Despite the helicenes having the ability to self-assemble in a variety of stereochemical and topological relationships, they formed only enantiomerically pure dimers held together by two pairs of cooperative hydrogen bonds. The self-assembly process was enantiospecific in solution and diastereoselective in the crystal.

  DOI：

  10.1021/ol006366y