4H-1-Benzopyran-3-carboxaldehyde,7-chloro-6-fluoro-2-(methylphenylamino)-4-oxo- | 880477-05-4

• 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: 4H-1-Benzopyran-3-carboxaldehyde,7-chloro-6-fluoro-2-(methylphenylamino)-4-oxo-
• 英文别名: 7-Chloro-6-fluoro-2-(methyl-phenyl-amino)-4-oxo-4H-chromene-3-carbaldehyde
• CAS: 880477-05-4
• 化学式: C₁₇H₁₁ClFNO₃
• 分子量: 331.731
• InChiKey: QKDFXLICEXGGSX-UHFFFAOYSA-N

物化性质

• 沸点：
  442.5±45.0 °C(Predicted)
• 密度：
  1.512±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  50.52
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  吗啉 、 4H-1-Benzopyran-3-carboxaldehyde,7-chloro-6-fluoro-2-(methylphenylamino)-4-oxo- 以 乙腈 为溶剂， 生成 6-Fluoro-2,7-di-morpholin-4-yl-4-oxo-4H-chromene-3-carbaldehyde
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel 6-chloro-/fluorochromone derivatives as potential topoisomerase inhibitor anticancer agents

  摘要：

  6-Chloro-2-pyrrolidino-/morpholino-/piperidino-/N-methylpiperazino-3-formyl-chromones (13-16) and 6-fluoro-2,7-dimorpholino-/piperidino-/N-methylpiperazino-3-formylchromones (17-19) have been synthesized as potential topoisomerase inhibitor anticancer agents, and evaluated, in vitro, against Ehrlich ascites carcinoma (EAC) cells, and also in vivo on EAC bearing mice. The compounds displayed promising anticancer activity under these test systems and shall serve as useful 'leads' for further design. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.044
• 作为产物：
  描述：

  4H-1-Benzopyran-3-carboxaldehyde,7-chloro-6-fluoro-4-oxo-2-(phenylamino)- 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4H-1-Benzopyran-3-carboxaldehyde,7-chloro-6-fluoro-2-(methylphenylamino)-4-oxo-
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel 6-chloro-/fluorochromone derivatives as potential topoisomerase inhibitor anticancer agents

  摘要：

  6-Chloro-2-pyrrolidino-/morpholino-/piperidino-/N-methylpiperazino-3-formyl-chromones (13-16) and 6-fluoro-2,7-dimorpholino-/piperidino-/N-methylpiperazino-3-formylchromones (17-19) have been synthesized as potential topoisomerase inhibitor anticancer agents, and evaluated, in vitro, against Ehrlich ascites carcinoma (EAC) cells, and also in vivo on EAC bearing mice. The compounds displayed promising anticancer activity under these test systems and shall serve as useful 'leads' for further design. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.044