1-(4-diethylamino-2-hydroxyphenyl)-3-(2,6-difluorophenyl)propane-1,3-dione | 623945-00-6

• 英文名称: 1-(4-diethylamino-2-hydroxyphenyl)-3-(2,6-difluorophenyl)propane-1,3-dione
• 英文别名: 1-[4-(Diethylamino)-2-hydroxyphenyl]-3-(2,6-difluorophenyl)propane-1,3-dione
• CAS: 623945-00-6
• 化学式: C₁₉H₁₉F₂NO₃
• 分子量: 347.362
• InChiKey: CGEUXVCPCSYWBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  homoveratric anhydride 、 1-(4-diethylamino-2-hydroxyphenyl)-3-(2,6-difluorophenyl)propane-1,3-dione 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以53%的产率得到7-diethylamino-3-(2,6-difluorobenzoyl)-2-(3,4-dimethoxybenzyl)[4H]benzopyran-4-one
  参考文献：
  名称：

  Reinvestigation of prototropic photochromism: 3-benzoyl-2-benzylchromones

  摘要：

  The synthesis of a series of new nine 3-benzoyl-2-benzylchromones is developed through a classical and an optimized Kostanecki-Robinson method involving an o-hydroxyphenyl-beta-diketone and an acid anhydride. The different spectrokinetic studies carried out in solution and in polymer matrixes have highlighted the main structure/photochromic parameters relationships and the influence of the medium on the photochromic properties. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)01211-0
• 作为产物：
  描述：

  2,6-二氟苯甲酰氯 在 三乙胺 、 magnesium chloride 作用下， 以 乙腈 为溶剂， 生成 1-(4-diethylamino-2-hydroxyphenyl)-3-(2,6-difluorophenyl)propane-1,3-dione
  参考文献：
  名称：

  Reinvestigation of prototropic photochromism: 3-benzoyl-2-benzylchromones

  摘要：

  The synthesis of a series of new nine 3-benzoyl-2-benzylchromones is developed through a classical and an optimized Kostanecki-Robinson method involving an o-hydroxyphenyl-beta-diketone and an acid anhydride. The different spectrokinetic studies carried out in solution and in polymer matrixes have highlighted the main structure/photochromic parameters relationships and the influence of the medium on the photochromic properties. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)01211-0