6-phenylmethoxyfuro[2,3-h]chromen-2-one | 250639-95-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-phenylmethoxyfuro[2,3-h]chromen-2-one
• CAS: 250639-95-3
• 化学式: C₁₈H₁₂O₄
• 分子量: 292.291
• InChiKey: GFNWHVNJAASOLR-UHFFFAOYSA-N

物化性质

• 沸点：
  506.2±50.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  52.58
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-phenylmethoxyfuro[2,3-h]chromen-2-one 在 palladium dihydroxide 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 6.0h， 生成 6-甲氧基当归素
  参考文献：
  名称：

  Synthesis and antifungal activity of coumarins and angular furanocoumarins

  摘要：

  Angelicin, a naturally occurring furanocoumarin, that showed antifungal activity, was considered as a lead structure for a group of synthetic coumarins. Antifungal activities of the synthesized coumarins and angelicin derivatives were reported against Candida albicans, Cryptococcus neoformans, Saccharomyces cerevisiae and Aspergillus niger. Human cell line cytotoxicity of several coumarins was evaluated against KB cells. Angelicin and several potent antifungals showed to be non-toxic in this assay.

  DOI：

  10.1016/s0968-0896(99)00138-8
• 作为产物：
  描述：

  2-(7-hydroxy-2-oxo-6-phenylmethoxychromen-8-yl)acetaldehyde 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 1.0h， 以22%的产率得到6-phenylmethoxyfuro[2,3-h]chromen-2-one
  参考文献：
  名称：

  Synthesis and antifungal activity of coumarins and angular furanocoumarins

  摘要：

  Angelicin, a naturally occurring furanocoumarin, that showed antifungal activity, was considered as a lead structure for a group of synthetic coumarins. Antifungal activities of the synthesized coumarins and angelicin derivatives were reported against Candida albicans, Cryptococcus neoformans, Saccharomyces cerevisiae and Aspergillus niger. Human cell line cytotoxicity of several coumarins was evaluated against KB cells. Angelicin and several potent antifungals showed to be non-toxic in this assay.

  DOI：

  10.1016/s0968-0896(99)00138-8