(3aR,4S,8aS)-(Decahydro-cyclohepta[c]pyrrol-4-yl)amine | 130657-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3aR,4S,8aS)-(Decahydro-cyclohepta[c]pyrrol-4-yl)amine
• 英文别名: (3aR,4S,8aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-amine
• CAS: 130657-70-4
• 化学式: C₉H₁₈N₂
• 分子量: 154.255
• InChiKey: PVYFSLMAOYPDHO-VGMNWLOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.05
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-环庚烯-1-酮 在 palladium on activated charcoal sodium azide 、 氢气 、 L-Selectride 、 sodium carbonate 、 三乙胺 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 72.25h， 生成 (3aR,4S,8aS)-(Decahydro-cyclohepta[c]pyrrol-4-yl)amine
  参考文献：
  名称：

  Synthesis and antibacterial activity of new 7-(aminoazabicycloalkanyl)quinolonecarboxylic acids

  摘要：

  A series of novel 7-[amino-substituted azabicycloalkanyl]-6-fluoro-1-substituted quinolinecarboxylic acids (18-53) have been prepared and their antibacterial activities evaluated. These compounds are characterized structurally by a new amino-substituted azabicyclo[3.3.0]octane,-[4.3.0]nonane and -[5.3.0]decane ring systems at the 7-position of quinolonecarboxylic acids. To compare the biological activities of enantiomers, (+)-7[(1S, 5R)- and (-)-7[(1R, 5S)-1-aminomethyl-3-azabicyclo[3.3.0]-octan-3-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolonecarboxylic acid hydrochloride (43, 44) were synthesized and evaluated for antibacterial activity. Compound 43 was more potent than 44 against both Gram-positive and Gram-negative organisms. The structure-activity relationships of these quinolonecarboxylic acids are also discussed.

  DOI：

  10.1016/0223-5234(91)90131-6