(1R,8aS)-1-Methyl-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one | 76015-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (1R,8aS)-1-Methyl-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one
• 英文别名: rel-(1R,8aS)-1,3,4,7,8,8a-Hexahydro-1-methyl-6(2H)-isoquinolinone；(1R,8aS)-1-methyl-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one
• CAS: 76015-16-2
• 化学式: C₁₀H₁₅NO
• 分子量: 165.235
• InChiKey: ACBSYZCTUNZWCD-GMSGAONNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Methyl-1 methoxy-7 hexahydro-1,2,3,4,5,8 isoquinoleine 在 氢溴酸 作用下， 生成 (1R,8aS)-1-Methyl-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one
  参考文献：
  名称：

  Determination of the configuration of new 8,13-diazasteroids by means of13C NMR

  摘要：

  AbstractOne methyldecahydroisoquinoline and some octahydro‐ and decahydro‐isoquinolone derivatives were studied by 13C NMR. The configuration of these products was deduced by comparison of the experimental chemical shifts and the calculated values. Conclusions could thus be reached on the configuration of related 8,13‐diazasteroids in the 19‐norandrostane series.

  DOI：

  10.1002/mrc.1270130209