2-(4-fluorophenyl)-1,1,2-tricyanoethylene | 7634-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-fluorophenyl)-1,1,2-tricyanoethylene
• 英文别名: 4-Fluor-1-tricyanvinyl-benzol；(α,β,β-Tricyano-vinyl)-p-fluor-benzol；p-Fluor-tricyanovinylbenzol；4-FPTCE；2-(4-Fluoro-phenyl)-1,1,2-tricyanoethylene；2-(4-fluorophenyl)ethene-1,1,2-tricarbonitrile
• CAS: 7634-92-6
• 化学式: C₁₁H₄FN₃
• 分子量: 197.171
• InChiKey: RFMCBYGPCXEUJM-UHFFFAOYSA-N

物化性质

• 沸点：
  299.7±40.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-fluorophenyl)-1,1,2-tricyanoethylene 、 bisindenyl itterbium(II) 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  New porphyrazine macrocycles with high viscosity-sensitive fluorescence parameters

  摘要：

  New tetraaryltetracyanoporphyrazines have been obtained in the form of metal complexes and free bases via template assembly of a variety of aryltricyanoethylenes as structural units of the macrocycle, and photophysical properties of the products have been studied. The unique high sensitivity of the fluorescent properties to viscosity has been demonstrated. This property opens the possibility of application of the said compounds as sensors of local viscosity. The prepared macrocycles exhibit significant photocytotoxicity, and can be thus used as sensitizers of photodynamic therapy.

  DOI：

  10.1134/s1070363216060189
• 作为产物：
  描述：

  2-(4-氟亚苄基)-丙二腈 在 N-氯代丁二酰亚胺 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 0.75h， 生成 2-(4-fluorophenyl)-1,1,2-tricyanoethylene
  参考文献：
  名称：

  New porphyrazine macrocycles with high viscosity-sensitive fluorescence parameters

  摘要：

  New tetraaryltetracyanoporphyrazines have been obtained in the form of metal complexes and free bases via template assembly of a variety of aryltricyanoethylenes as structural units of the macrocycle, and photophysical properties of the products have been studied. The unique high sensitivity of the fluorescent properties to viscosity has been demonstrated. This property opens the possibility of application of the said compounds as sensors of local viscosity. The prepared macrocycles exhibit significant photocytotoxicity, and can be thus used as sensitizers of photodynamic therapy.

  DOI：

  10.1134/s1070363216060189

文献信息

• Room-Temperature and Near-Room-Temperature Molecule-Based Magnets
  作者：Mark D. Harvey、T. Daniel Crawford、Gordon T. Yee

  DOI：10.1021/ic702359g

  日期：2008.7.7

  Additional members of the family of high-T-c molecule-based magnets, V[acceptor](2) center dot yCH(2)Cl(2) have been discovered in which the acceptor is a fluorophenyltricyanoethylene. Varying the number and position of the fluorine substitutions around the phenyl ring results in materials with significantly different magnetic ordering temperatures (T-c's) ranging from 160 to 300 K. Density functional theory calculations were performed on the neutral and anionic forms of the acceptors that reveal modest correlation between T-c and three calculated quantities: the gas-phase electron affinity, the dihedral angle between the phenyl ring and the olefin, and the Mulliken spin densities on the nitrogen atoms. The electrochemistry of the acceptors has also been examined.