2,6-diiodo-4-cyano-1-(N,N-diisopropylcarbamoyl)cubane | 141807-76-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,6-diiodo-4-cyano-1-(N,N-diisopropylcarbamoyl)cubane
• 英文别名: 4-Cyano-2,6-diiodo-N,N-diisopropyl-1-cubanecarboxamide；4-cyano-2,6-diiodo-N,N-di(propan-2-yl)cubane-1-carboxamide
• CAS: 141807-76-3
• 化学式: C₁₆H₁₈I₂N₂O
• 分子量: 508.141
• InChiKey: ZQAYMOXEXYPXDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-cyano(diisopropylcarbamoyl)cubane 生成 2,6-diiodo-4-cyano-1-(N,N-diisopropylcarbamoyl)cubane 、 2,6,8-triiodo-4-cyano-1-(N,N-diisopropylcarbamoyl)cubane
  参考文献：
  名称：

  Systematic substitution on the cubane nucleus: steric and electronic effects

  摘要：

  Effective methodology for the synthesis of cubanes with novel substitution patterns is presented. The use of an electron-withdrawing group to accelerate ortho-metalation of amide-activated cubanes is described, as is the effect of the steric bulk of the activating group on the degree of ortho-metalation.

  DOI：

  10.1021/jo00041a038

文献信息

• Systematic substitution on the cubane nucleus: steric and electronic effects
  作者：Philip E. Eaton、Yusheng Xiong、Jian Ping Zhou

  DOI：10.1021/jo00041a038

  日期：1992.7

  Effective methodology for the synthesis of cubanes with novel substitution patterns is presented. The use of an electron-withdrawing group to accelerate ortho-metalation of amide-activated cubanes is described, as is the effect of the steric bulk of the activating group on the degree of ortho-metalation.