1-methylaminomethylxanthen-9-one | 212117-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-methylaminomethylxanthen-9-one
• 英文别名: 1-(Methylaminomethyl)xanthen-9-one
• CAS: 212117-68-5
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: XOEPISNYAZJBOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Cinnamyl bromide 、 1-methylaminomethylxanthen-9-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以30%的产率得到1-[[methyl(3-phenylprop-2-enyl)amino]methyl]xanthen-9-one
  参考文献：
  名称：

  Allylamine Type Xanthone Antimycotics

  摘要：

  A number of xanthone derivatives bearing the basic chain of naftifine and butenafine antimycotics in 1, 2, 3, and 4 nuclear positions are described. The in vitro antifungal activity against representative strains of molds and yeasts is reported. Only butenafine xanthone analogues shaw significant activity against Cryptococcus neoformans, in particular the regioisomer 4d (1.5 mu g/ml).

  DOI：

  10.1002/(sici)1521-4184(199806)331:6<225::aid-ardp225>3.0.co;2-5
• 作为产物：
  描述：

  1-bromomethylxanthen-9(9H)-one 、 甲胺 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以40%的产率得到1-methylaminomethylxanthen-9-one
  参考文献：
  名称：

  Allylamine Type Xanthone Antimycotics

  摘要：

  A number of xanthone derivatives bearing the basic chain of naftifine and butenafine antimycotics in 1, 2, 3, and 4 nuclear positions are described. The in vitro antifungal activity against representative strains of molds and yeasts is reported. Only butenafine xanthone analogues shaw significant activity against Cryptococcus neoformans, in particular the regioisomer 4d (1.5 mu g/ml).

  DOI：

  10.1002/(sici)1521-4184(199806)331:6<225::aid-ardp225>3.0.co;2-5

文献信息

• Allylamine Type Xanthone Antimycotics
  作者：Isabella Salmoiraghi、Maddalena Rossi、Piero Valenti、Paolo Da Re

  DOI：10.1002/(sici)1521-4184(199806)331:6<225::aid-ardp225>3.0.co;2-5

  日期：1998.6

  A number of xanthone derivatives bearing the basic chain of naftifine and butenafine antimycotics in 1, 2, 3, and 4 nuclear positions are described. The in vitro antifungal activity against representative strains of molds and yeasts is reported. Only butenafine xanthone analogues shaw significant activity against Cryptococcus neoformans, in particular the regioisomer 4d (1.5 mu g/ml).