1,3-Adamantane bis(α,α-diphenylmethyldiyl) dication

• 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: 1,3-Adamantane bis(α,α-diphenylmethyldiyl) dication
• 英文别名: 1,3-Bis(diphenylmethyl)adamantane
• 化学式: C₃₆H₃₄
• 分子量: 466.666
• InChiKey: AMBKJFNDZKTNRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,3-金刚烷二羧酸二甲酯 在 五氟化锑 、 氟磺酸 、 lithium 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 1,3-Adamantane bis(α,α-diphenylmethyldiyl) dication
  参考文献：
  名称：

  Preparation and 13C NMR Spectroscopic Study of Disubstituted Adamantane-1,3-dimethyldiyl Dications

  摘要：

  A series of substituted adamantane-1,3-dimethyldiyl dications 5 has been prepared by the ionization of alpha,alpha,alpha',alpha'-tetrasubstituted-1,3-adamantanedimethyl diols 6 in superacidic media. The dications were stable with groups such as phenyl and methyl, however, unstable with cyclopropyl groups. The C-13 NMR spectroscopic study of the obtained dications clearly indicates that the positive charges are more delocalized into the substituents due to the close proximity of the cationic centers through the adamantyl cage. These studies are informative in probing cage compounds with multiply-charged centers.

  DOI：

  10.1021/jo00127a049