1-(4-biphenyl)-1,2-dihydro(C60-Ih)[5,6]fullerene | 160082-99-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-(4-biphenyl)-1,2-dihydro(C60-Ih)[5,6]fullerene
• CAS: 160082-99-5
• 化学式: C₇₂H₁₀
• 分子量: 874.871
• InChiKey: ZSVGDLKWDRHVFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.86
• 重原子数：
  72.0
• 可旋转键数：
  2.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1-(4-biphenyl)-1,2-dihydro(C60-Ih)[5,6]fullerene 、 乙酰氯 在 aluminum (III) chloride 作用下， 以 邻二氯苯 为溶剂， 反应 0.83h， 以70%的产率得到1-(4'-acetyl-4-biphenyl)-1,2-dihydro(C60-Ih)[5,6]fullerene
  参考文献：
  名称：

  AlCl₃-Catalyzed Tandem Acetylation of Hydroarylated [60]Fullerenes

  摘要：

  The AlCl(3)-catalyzed acetylation of 1,2-hydrophenylated [60]fullerenes, HC(60)-Ar, proceeded via a sequential manner involving the acetylation at the hydrogenated fullerene carbon, the following intramolecular cyclization with the adjacent aryl group, the facile loss of water, and the second acetylation of the generated indenylidene double bond. However, the similar reaction of the hydrobiphenylated analogue brought about the normal acetylation at the terminal aromatic ring prior to the same sequential reactions as did hydrophenylated fullerenes.

  DOI：

  10.1021/ol801239y
• 作为产物：
  描述：

  联苯 、 足球烯 在 aluminum (III) chloride 作用下， 以 邻二氯苯 为溶剂， 反应 0.5h， 以44%的产率得到1-(4-biphenyl)-1,2-dihydro(C60-Ih)[5,6]fullerene
  参考文献：
  名称：

  AlCl₃-Catalyzed Tandem Acetylation of Hydroarylated [60]Fullerenes

  摘要：

  The AlCl(3)-catalyzed acetylation of 1,2-hydrophenylated [60]fullerenes, HC(60)-Ar, proceeded via a sequential manner involving the acetylation at the hydrogenated fullerene carbon, the following intramolecular cyclization with the adjacent aryl group, the facile loss of water, and the second acetylation of the generated indenylidene double bond. However, the similar reaction of the hydrobiphenylated analogue brought about the normal acetylation at the terminal aromatic ring prior to the same sequential reactions as did hydrophenylated fullerenes.

  DOI：

  10.1021/ol801239y