9-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-4-yl trifluoromethanesulfonate | 1017962-24-1

• 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-5-oxo-5H-furo[3,2-g]chromen-4-yl trifluoromethanesulfonate
• CAS: 1017962-24-1
• 化学式: C₁₄H₉F₃O₇S
• 分子量: 378.282
• InChiKey: PJRDRBODJUDUMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.95
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  9-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-4-yl trifluoromethanesulfonate 在 palladium diacetate 甲酸 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以55%的产率得到9-methoxy-7-methyl-furo[3,2-g]chromen-5-one
  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：

  三氟甲磺酸酐 、 7-甲基-4-羟基-9-甲氧基-5H-呋喃并[3,2-g][1]苯并吡喃-5-酮 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到9-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-4-yl trifluoromethanesulfonate
  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