N,N'-bis(1-adamantyl)-N,N'-[2,2'-(adamantane-1,3-diyl)diethylene]bis(4-nitrobenzenesulfonamide) | 1060664-91-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis(1-adamantyl)-N,N'-[2,2'-(adamantane-1,3-diyl)diethylene]bis(4-nitrobenzenesulfonamide)
• CAS: 1060664-91-6
• 化学式: C₄₆H₆₀N₄O₈S₂
• 分子量: 861.136
• InChiKey: IONKGIXRFFSVRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.49
• 重原子数：
  60.0
• 可旋转键数：
  14.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  161.04
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  N,N'-bis(1-adamantyl)-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53%的产率得到N,N'-bis(1-adamantyl)-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