2-(4-chloro-7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-8-(dimethylamino)-3-(quinolin-4-yl)pyrano[3,2-c]chromen-5(2H)-one | 1360146-06-0

• 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: 2-(4-chloro-7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-8-(dimethylamino)-3-(quinolin-4-yl)pyrano[3,2-c]chromen-5(2H)-one
• 英文别名: 2-[4-chloro-7-(dimethylamino)-2-oxochromen-3-yl]-8-(dimethylamino)-3-quinolin-4-yl-2H-pyrano[3,2-c]chromen-5-one
• CAS: 1360146-06-0
• 化学式: C₃₄H₂₆ClN₃O₅
• 分子量: 592.051
• InChiKey: VSOQUKZEESTLCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-(N,N-二甲氨基)-4-羟基香豆素 在 乙酸酐 、 三氯氧磷 作用下， 反应 24.5h， 生成 2-(4-chloro-7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-8-(dimethylamino)-3-(quinolin-4-yl)pyrano[3,2-c]chromen-5(2H)-one
  参考文献：
  名称：

  One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties

  摘要：

  Two new pyranocoumarins were synthesized via one-pot, microwave-assisted pseudo multicomponent condensations of coumarin and 4-methylquinoline to investigate their molecular switching properties. Both are light-sensitive and have a distinct change of color upon UV irradiation. The reaction can be reverted by treating the photogenerated products with imidazoline-functionalized magnetic nanoparticles, which can be swiftly recycled with an external permanent magnet.

  DOI：

  10.1021/ol203229z

文献信息

• One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties
  作者：Kuan-Ting Li、Yong-Bo Lin、Ding-Yah Yang

  DOI：10.1021/ol203229z

  日期：2012.3.2

  Two new pyranocoumarins were synthesized via one-pot, microwave-assisted pseudo multicomponent condensations of coumarin and 4-methylquinoline to investigate their molecular switching properties. Both are light-sensitive and have a distinct change of color upon UV irradiation. The reaction can be reverted by treating the photogenerated products with imidazoline-functionalized magnetic nanoparticles, which can be swiftly recycled with an external permanent magnet.