7-(diethylamino)-3-[(1S,2S)-2-[7-(diethylamino)-2-oxochromen-3-yl]-1,2-bis[(2-hydroxyphenyl)methylideneamino]ethyl]chromen-2-one | 1209496-83-2

• 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: 7-(diethylamino)-3-[(1S,2S)-2-[7-(diethylamino)-2-oxochromen-3-yl]-1,2-bis[(2-hydroxyphenyl)methylideneamino]ethyl]chromen-2-one
• CAS: 1209496-83-2
• 化学式: C₄₂H₄₂N₄O₆
• 分子量: 698.819
• InChiKey: LTMIMJHUMPZGFQ-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (R,R)-1,2-双(2-羟基苯基)亚乙基二胺 、 2H-1-苯并吡喃-3-羧醛, 7-(二乙基氨基)-2-氧代- 以 甲醇 、 二氯甲烷 为溶剂， 以85%的产率得到7-(diethylamino)-3-[(1S,2S)-2-[7-(diethylamino)-2-oxochromen-3-yl]-1,2-bis[(2-hydroxyphenyl)methylideneamino]ethyl]chromen-2-one
  参考文献：
  名称：

  Fluorescence Turn-On Sensor for Cyanide Based on a Cobalt(II)−Coumarinylsalen Complex

  摘要：

  A Co(II)-salen based fluorescent sensor (1 center dot Co) that can selectively recognize cyanide anions in 1:2 binding stoichiometry over other anions has been developed. 1 center dot Co displayed fluorescence enhancement upon the addition of cyanide owing to the interruption of photoinduced electron transfer from the coumarin fluorophore to the cobalt(II) ion. A general regression method was developed to calculate the binding constants in the 1:2 binding system, through which the 1:2 binding between 1 center dot Co and cyanide anions was estimated to be in the range of micromolar dissociation constants.

  DOI：

  10.1021/ol902852g