(R)-7-Methyl-1,6,6a,7,8,9-hexahydro-1,7-diaza-benzo[cd]pyren-2-one | 333303-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (R)-7-Methyl-1,6,6a,7,8,9-hexahydro-1,7-diaza-benzo[cd]pyren-2-one
• 英文别名: (1R)-2-methyl-2,9-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),11,13,15-hexaen-10-one
• CAS: 333303-90-5
• 化学式: C₁₈H₁₆N₂O
• 分子量: 276.338
• InChiKey: GTFWUPYRBYXCRC-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-7-Methyl-1,6,6a,7,8,9-hexahydro-1,7-diaza-benzo[cd]pyren-2-one 在 palladium on activated charcoal lithium aluminium tetrahydride 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.25h， 生成 (R)-7-Methyl-6a,7,8,9-tetrahydro-6H-1,7-diaza-benzo[cd]pyrene
  参考文献：
  名称：

  Serotonergic and dopaminergic activities of rigidified ( R )-aporphine derivatives

  摘要：

  Novel rigidified (R)-aporphine derivatives were synthesized from (R)1.11-carbonylaporphine by ring expansion reactions. The structures of the novel analogues were assigned by NMR spectroscopy and X-ray crystallography. The compounds showed moderate affinities and selectivities at serotonin 5-HT1A and 5-HT7 and dopamine D-2A receptors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00655-7
• 作为产物：
  描述：

  (R)-6-Methyl-5a,6,7,8-tetrahydro-5H-6-aza-benzo[mno]aceanthrylen-1-one oxime 在 PPA 作用下， 反应 0.25h， 生成 (R)-7-Methyl-6a,7,8,9-tetrahydro-2H,6H-2,7-diaza-benzo[cd]pyren-1-one 、 (R)-7-Methyl-1,6,6a,7,8,9-hexahydro-1,7-diaza-benzo[cd]pyren-2-one
  参考文献：
  名称：

  Serotonergic and dopaminergic activities of rigidified ( R )-aporphine derivatives

  摘要：

  Novel rigidified (R)-aporphine derivatives were synthesized from (R)1.11-carbonylaporphine by ring expansion reactions. The structures of the novel analogues were assigned by NMR spectroscopy and X-ray crystallography. The compounds showed moderate affinities and selectivities at serotonin 5-HT1A and 5-HT7 and dopamine D-2A receptors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00655-7