8-methoxy-2,3-dimethyl-1,4-dioxo-1,4-dihydro-pyrido[1,2-a]indole-10-carboxylic acid methyl ester | 1355181-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 8-methoxy-2,3-dimethyl-1,4-dioxo-1,4-dihydro-pyrido[1,2-a]indole-10-carboxylic acid methyl ester
• 英文别名: Methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
• CAS: 1355181-16-6
• 化学式: C₁₇H₁₅NO₅
• 分子量: 313.31
• InChiKey: KOPOEZGPPPRBLQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3-dichloro-5,6-dimethyl-1,4-benzoquinone 以 乙醇 为溶剂， 反应 12.0h， 生成 8-methoxy-2,3-dimethyl-1,4-dioxo-1,4-dihydro-pyrido[1,2-a]indole-10-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and antifungal evaluation of pyrido[1,2-a]indole-1,4-diones and benzo[f]pyrido[1,2-a]indole-6,11-diones

  摘要：

  Pyrido[1,2-a]indole-1,4-diones and benzo[f]pyrido[1,2-a]indole-6,11-diones were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Among them tested, many compounds showed good antifungal activity. The results suggest that pyrido[1,2-a]indole-1,4-diones and benzo[f]pyrido[1,2-a]indole-6,11-diones would be potent antifungal agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.092