9-methoxy-7-methyl-furo[3,2-g]chromen-5-one | 87249-41-0

• 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: 9-methoxy-7-methyl-furo[3,2-g]chromen-5-one
• 英文别名: 9-Methoxy-7-methyl-furo[3,2-g]chromen-5-on；8-Methoxy-2-methyl-furano-<3',2';6,7>-chromon；9-Methoxy-7-methylfuro[3,2-g]chromen-5-one
• CAS: 87249-41-0
• 化学式: C₁₃H₁₀O₄
• 分子量: 230.22
• InChiKey: ZBPVTWPMQINAFD-UHFFFAOYSA-N

物化性质

• 熔点：
  196-197 °C
• 沸点：
  378.2±42.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  48.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-methoxy-7-methyl-furo[3,2-g]chromen-5-one 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以63%的产率得到6-羟基-7-甲氧基-苯并呋喃-5-羧酸
  参考文献：
  名称：

  Synthesis and biological evaluation of chalcones as inhibitors of the voltage-gated potassium channel Kv1.3

  摘要：

  Chalcone derivatives of the natural product khellinone were synthesised and screened for bioactivity against the voltage-gated potassium channel Kv1.3. X-ray crystallography was employed to investigate relationships between the structure and function of a selection of the reported chalcones. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.099
• 作为产物：
  描述：

  1-(6,7-dimethoxy-2,3-dihydro-benzofuran-5-yl)-butane-1,3-dione 在 palladium on activated charcoal 、 氢溴酸 、 溶剂黄146 作用下， 生成 9-methoxy-7-methyl-furo[3,2-g]chromen-5-one
  参考文献：
  名称：

  Davies et al., Journal of the Chemical Society, 1950, p. 3206,3212

  摘要：

  DOI：

文献信息

• Davies et al., Journal of the Chemical Society, 1950, p. 3206,3212
  作者：Davies et al.

  DOI：——

  日期：——
• Synthesis and biological evaluation of chalcones as inhibitors of the voltage-gated potassium channel Kv1.3
  作者：Julia Cianci、Jonathan B. Baell、Bernard L. Flynn、Robert, W. Gable、Jorgen A. Mould、Dharam Paul、Andrew J. Harvey

  DOI：10.1016/j.bmcl.2008.01.099

  日期：2008.3

  Chalcone derivatives of the natural product khellinone were synthesised and screened for bioactivity against the voltage-gated potassium channel Kv1.3. X-ray crystallography was employed to investigate relationships between the structure and function of a selection of the reported chalcones. (c) 2008 Elsevier Ltd. All rights reserved.