9-Allyl-5,6,9-trimethoxy-7H,9H-8-oxa-1-aza-phenalene | 858345-94-5

• 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: 9-Allyl-5,6,9-trimethoxy-7H,9H-8-oxa-1-aza-phenalene
• 英文别名: 7,8,12-trimethoxy-12-prop-2-enyl-11-oxa-2-azatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene
• CAS: 858345-94-5
• 化学式: C₁₇H₁₉NO₄
• 分子量: 301.342
• InChiKey: XEWQIWUCIOMNFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-Allyl-5,6,9-trimethoxy-7H,9H-8-oxa-1-aza-phenalene 在 四氧化锇 、 N-甲基吲哚酮 作用下， 以 水 、 丙酮 为溶剂， 以74%的产率得到3-(5,6,9-Trimethoxy-7H,9H-8-oxa-1-aza-phenalen-9-yl)-propane-1,2-diol
  参考文献：
  名称：

  Synthesis of tricyclic analogs of stephaoxocanidine and their evaluation as acetylcholinesterase inhibitors

  摘要：

  The synthesis of simplified analogs of the novel isoquinoline alkaloid stephaoxocanidine, carrying the oxazaphenalene ABC-ring system of the natural product, and their activity as inhibitors of the enzyme acetylcholinesterase, are reported. 5,6-Dimethoxy-7H-8-oxa-1-aza-phenalen-9-one (5) was as active as a Narcissus extract enriched in galantamine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.005
• 作为产物：
  描述：

  5,6-Dimethoxy-7H-8-oxa-1-aza-phenalen-9-one 在 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 生成 9-Allyl-5,6,9-trimethoxy-7H,9H-8-oxa-1-aza-phenalene
  参考文献：
  名称：

  Synthesis of tricyclic analogs of stephaoxocanidine and their evaluation as acetylcholinesterase inhibitors

  摘要：

  The synthesis of simplified analogs of the novel isoquinoline alkaloid stephaoxocanidine, carrying the oxazaphenalene ABC-ring system of the natural product, and their activity as inhibitors of the enzyme acetylcholinesterase, are reported. 5,6-Dimethoxy-7H-8-oxa-1-aza-phenalen-9-one (5) was as active as a Narcissus extract enriched in galantamine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.005