2-Chloro-3-(4-methoxypyridin-1-ium-1-yl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione;chloride | 1355181-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Chloro-3-(4-methoxypyridin-1-ium-1-yl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione;chloride
• CAS: 1355181-84-8
• 化学式: C₁₄H₁₃ClNO₃*Cl
• 分子量: 314.168
• InChiKey: LQHATXXUDJOBPU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  47.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Chloro-3-(4-methoxypyridin-1-ium-1-yl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione;chloride 、 乙酰乙酸甲酯 以 乙醇 为溶剂， 反应 8.0h， 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
• 作为产物：
  描述：

  4-甲氧基吡啶 、 2,3-dichloro-5,6-dimethyl-1,4-benzoquinone 以 乙醇 为溶剂， 反应 4.0h， 生成 2-Chloro-3-(4-methoxypyridin-1-ium-1-yl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione;chloride
  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