2-({4-[(4-Fluorobenzyl)oxy]phenyl}methylene)malononitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-({4-[(4-Fluorobenzyl)oxy]phenyl}methylene)malononitrile
• 英文别名: 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
• 化学式: C₁₇H₁₁FN₂O
• 分子量: 278.286
• InChiKey: GFGWWUAETIGCNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  potassium cyanide 、 2-({4-[(4-Fluorobenzyl)oxy]phenyl}methylene)malononitrile 以 乙醇 为溶剂， 反应 0.75h， 生成 2-[4-[(4-Fluorophenyl)methoxy]phenyl]ethane-1,1,2-tricarbonitrile
  参考文献：
  名称：

  New promising porphyrazine-based agents for optical theranostics of cancer

  摘要：

  New porphyrazine bases containing peripheral benzyloxyphenyl groups have been synthesized by the template method. The procedure includes condensation of aromatic aldehydes with malononitrile, transformation of arylmethylidenemalononitriles to arylethenetricarbonitriles, template assembly of porphyrazine macrocycle on bis(indenyl)ytterbium(II) complex, and removal of the central metal ion. Luminescence properties of the synthesized porphyrazines and their dependence on the viscosity of the medium were studied, and the light and dark toxicities of the porphyrazines have been estimated. The obtained results suggest the possibility of using these porphyrazines as optical theranostic agents of new generation.

  DOI：

  10.1134/s1070363217030173
• 作为产物：
  描述：

  对羟基苯甲醛 在 哌啶 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 2-({4-[(4-Fluorobenzyl)oxy]phenyl}methylene)malononitrile
  参考文献：
  名称：

  New promising porphyrazine-based agents for optical theranostics of cancer

  摘要：

  New porphyrazine bases containing peripheral benzyloxyphenyl groups have been synthesized by the template method. The procedure includes condensation of aromatic aldehydes with malononitrile, transformation of arylmethylidenemalononitriles to arylethenetricarbonitriles, template assembly of porphyrazine macrocycle on bis(indenyl)ytterbium(II) complex, and removal of the central metal ion. Luminescence properties of the synthesized porphyrazines and their dependence on the viscosity of the medium were studied, and the light and dark toxicities of the porphyrazines have been estimated. The obtained results suggest the possibility of using these porphyrazines as optical theranostic agents of new generation.

  DOI：

  10.1134/s1070363217030173

文献信息

• New promising porphyrazine-based agents for optical theranostics of cancer
  作者：S. A. Lermontova、I. S. Grigor’ev、N. N. Peskova、E. Yu. Ladilina、I. V. Balalaeva、L. G. Klapshina、V. P. Boyarskii

  DOI：10.1134/s1070363217030173

  日期：2017.3

  New porphyrazine bases containing peripheral benzyloxyphenyl groups have been synthesized by the template method. The procedure includes condensation of aromatic aldehydes with malononitrile, transformation of arylmethylidenemalononitriles to arylethenetricarbonitriles, template assembly of porphyrazine macrocycle on bis(indenyl)ytterbium(II) complex, and removal of the central metal ion. Luminescence properties of the synthesized porphyrazines and their dependence on the viscosity of the medium were studied, and the light and dark toxicities of the porphyrazines have been estimated. The obtained results suggest the possibility of using these porphyrazines as optical theranostic agents of new generation.