N,N'-bis[1-(1-adamantyl)ethyl]-2,2'-(adamantane-1,3-diyl)diethanamine | 1060664-85-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-bis[1-(1-adamantyl)ethyl]-2,2'-(adamantane-1,3-diyl)diethanamine
• CAS: 1060664-85-8
• 化学式: C₃₈H₆₂N₂
• 分子量: 546.924
• InChiKey: XSBRZHFKKQHAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.74
• 重原子数：
  40.0
• 可旋转键数：
  10.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis[1-(1-adamantyl)ethyl]-2,2'-(adamantane-1,3-diyl)diethanamine 、 对硝基苯磺酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 以62%的产率得到N,N'-bis[1-(1-adamantyl)ethyl]-N,N'-[2,2'-(adamantane-1,3-diyl)diethylene]bis(4-nitrobenzenesulfonamide)
  参考文献：
  名称：

  Carboxamides and amines having two and three adamantane fragments

  摘要：

  New carboxamides having two and three adamantane fragments were synthesized from adamantanecarboxylic acid chlorides and adamantane-containing amines. The amides were reduced to the corresponding amines, and the latter were converted into N-p-nitrophenylsulfonyl and N-p-tolylsulfonylcarbamoyl derivatives by treatment with p-nitrobenzenesulfonyl chloride and p-toluenesulfonyl isocyanate, respectively. The structure of the newly synthesized compounds was confirmed by IR and H-1 NMR spectroscopy. Some carboxamides turned out to be inactive in the reduction with lithium tetrahydridoaluminate, which was discussed in terms of the results of semiempirical quantum-chemical calculations.

  DOI：

  10.1134/s1070428007110103
• 作为产物：
  描述：

  N,N'-bis[1-(1-adamantyl)ethyl]adamantane-1,3-diyldiacetamide 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 10.0h， 以94%的产率得到N,N'-bis[1-(1-adamantyl)ethyl]-2,2'-(adamantane-1,3-diyl)diethanamine
  参考文献：
  名称：

  Carboxamides and amines having two and three adamantane fragments

  摘要：

  New carboxamides having two and three adamantane fragments were synthesized from adamantanecarboxylic acid chlorides and adamantane-containing amines. The amides were reduced to the corresponding amines, and the latter were converted into N-p-nitrophenylsulfonyl and N-p-tolylsulfonylcarbamoyl derivatives by treatment with p-nitrobenzenesulfonyl chloride and p-toluenesulfonyl isocyanate, respectively. The structure of the newly synthesized compounds was confirmed by IR and H-1 NMR spectroscopy. Some carboxamides turned out to be inactive in the reduction with lithium tetrahydridoaluminate, which was discussed in terms of the results of semiempirical quantum-chemical calculations.

  DOI：

  10.1134/s1070428007110103