2-(diethylamino)-7-n-hexadecyloxy-4H-1-benzopyran-4-one | 667429-26-7

• 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-n-hexadecyloxy-4H-1-benzopyran-4-one
• 英文别名: 2-(diethylamino)-7-hexadecoxychromen-4-one
• CAS: 667429-26-7
• 化学式: C₂₉H₄₇NO₃
• 分子量: 457.697
• InChiKey: BEVIIWMILFHTKE-UHFFFAOYSA-N

物化性质

• 沸点：
  553.4±50.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  33.0
• 可旋转键数：
  19.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  42.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(diethylamino)-7-n-hexadecyloxy-4H-1-benzopyran-4-one 在 吡啶 、 tetraphosphorus decasulfide 作用下， 反应 1.0h， 以46.3%的产率得到2-(diethylamino)-7-n-hexadecyloxy-4H-1-benzopyran-4-thione
  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：

  溴代十六烷 在 potassium carbonate 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.5h， 生成 2-(diethylamino)-7-n-hexadecyloxy-4H-1-benzopyran-4-one
  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