[2-(diethylamino)-7-acetoxy-4H-chromen-4-ylidene]malononitrile | 667429-12-1

• 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: [2-(diethylamino)-7-acetoxy-4H-chromen-4-ylidene]malononitrile
• CAS: 667429-12-1
• 化学式: C₁₈H₁₇N₃O₃
• 分子量: 323.351
• InChiKey: PRDULJCHIVDRHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  86.35
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [2-(diethylamino)-7-acetoxy-4H-chromen-4-ylidene]malononitrile 在 sodium hydroxide 作用下， 反应 4.0h， 以32.6%的产率得到[2-(diethylamino)-7-hydroxy-4H-chromen-4-ylidene]malononitrile
  参考文献：
  名称：

  2-(Dialkylamino)-4H-1-benzopyran-4-one derivatives modify chloride conductance in CFTR expressing cells

  摘要：

  Some 2-(diethylamino)-7-hydroxy-4H-1-benzopyran-4-one derivatives, potentially useful as activators of the cystic fibrosis transmembrane conductance regulator (CFTR), were prepared. The synthesized compounds were tested, together with others 2-(dialkylamino)-7-hydroxybenzopyran-4-one derivatives, by measuring their capacity to modify the kinetics of iodide influx in Fisher rat thyroid cells expressing wild type CFTR and the halide-sensitive yellow fluorescent protein. Among the tested compounds the dinitrile derivatives 8 and 9 are endowed with an activity comparable to the reference compound apigenin.

  DOI：

  10.1016/s0014-827x(03)00155-1
• 作为产物：
  描述：

  2-(二乙基氨基)-7-羟基色原酮 在 吡啶 、 tetraphosphorus decasulfide 作用下， 反应 2.0h， 生成 [2-(diethylamino)-7-acetoxy-4H-chromen-4-ylidene]malononitrile
  参考文献：
  名称：

  2-(Dialkylamino)-4H-1-benzopyran-4-one derivatives modify chloride conductance in CFTR expressing cells

  摘要：

  Some 2-(diethylamino)-7-hydroxy-4H-1-benzopyran-4-one derivatives, potentially useful as activators of the cystic fibrosis transmembrane conductance regulator (CFTR), were prepared. The synthesized compounds were tested, together with others 2-(dialkylamino)-7-hydroxybenzopyran-4-one derivatives, by measuring their capacity to modify the kinetics of iodide influx in Fisher rat thyroid cells expressing wild type CFTR and the halide-sensitive yellow fluorescent protein. Among the tested compounds the dinitrile derivatives 8 and 9 are endowed with an activity comparable to the reference compound apigenin.

  DOI：

  10.1016/s0014-827x(03)00155-1