1-chloro-7-methoxy-4-methyl-9H-xanthen-9-one | 86456-24-8

• 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-chloro-7-methoxy-4-methyl-9H-xanthen-9-one
• 英文别名: 1-chloro-7-methoxy-4-methyl-xanthen-9-one；1-Chlor-7-methoxy-4-methyl-xanthen-9-on；1-Chloro-7-methoxy-4-methylxanthen-9-one
• CAS: 86456-24-8
• 化学式: C₁₅H₁₁ClO₃
• 分子量: 274.704
• InChiKey: XBMGPTZJZKKMTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-chloro-7-methoxy-4-methyl-9H-xanthen-9-one 在 氢碘酸 作用下， 反应 3.5h， 生成 1-<<2-(dimethylamino)ethyl>amino>-7-hydroxy-4-methyl-9H-xanthen-9-one hydroiodide
  参考文献：
  名称：

  Analogs of hycanthone and lucanthone as antitumor agents

  摘要：

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.

  DOI：

  10.1021/jm00363a007
• 作为产物：
  描述：

  4-氯-2-碘甲苯 在 硫酸 、 铜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 73.5h， 生成 1-chloro-7-methoxy-4-methyl-9H-xanthen-9-one
  参考文献：
  名称：

  Analogs of hycanthone and lucanthone as antitumor agents

  摘要：

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.

  DOI：

  10.1021/jm00363a007

文献信息

• DE919107
  申请人：——

  公开号：——

  公开（公告）日：——
• Mauss, Chemische Berichte, 1948, vol. 81, p. 19,26
  作者：Mauss

  DOI：——

  日期：——