4-(4-trifluoromethylphenylvinyl)phenyl amine | 40473-96-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(4-trifluoromethylphenylvinyl)phenyl amine
• 英文别名: 4-[2-[4-(Trifluoromethyl)phenyl]ethenyl]aniline
• CAS: 40473-96-9
• 化学式: C₁₅H₁₂F₃N
• 分子量: 263.262
• InChiKey: BOPSJNOLKCMHHV-UHFFFAOYSA-N

物化性质

• 沸点：
  360.1±42.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-正己氧基苯甲醛 、 4-(4-trifluoromethylphenylvinyl)phenyl amine 以 乙醇 为溶剂， 反应 6.0h， 以85%的产率得到
  参考文献：
  名称：

  Contribution of stilbene-imine additives on the structural, ionic conductivity performance and theoretical evaluation on CMC-based biopolymer electrolytes

  摘要：

  New solid biopolymer electrolytes (SBEs) were prepared by integrating stilbene-imine derivatives bearing vinylene (-CH-CH-) and azomethine (-CH-N-) as additives in carboxymethyl cellulose (CMC) based electrolyte. The investigation on their spectroscopic and theoretical assessments were conducted to alter the energy level in improving the structural and ionic conductivity performance. The simulated results from frontier molecular orbitals (FMO) and Mulliken-charge analysis revealed that -CF3 and -NO2 substituents significantly reduce the HOMO-LUMO gap up to 0.68 eV. The highest ionic conductivity of SBEs achieved at ambient tem-perature was similar to 8 x 10(-3) Scm(-1) upon the addition of additive, obeying an Arrhenius model with reciprocal of temperature (303 K-373 K). The coordination interaction of C-O bond and CH=N band facilitated the dissociation of more cation (H+) of NH4Cl which permits alternative route for H+ to hop into coordinating site in CMC. The outcomes are ideal in the development of electrochemical devices.

  DOI：

  10.1016/j.carbpol.2020.116935
• 作为产物：
  描述：

  对三氟甲基苯乙烯 、 对碘苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-trifluoromethylphenylvinyl)phenyl amine
  参考文献：
  名称：

  Contribution of stilbene-imine additives on the structural, ionic conductivity performance and theoretical evaluation on CMC-based biopolymer electrolytes

  摘要：

  New solid biopolymer electrolytes (SBEs) were prepared by integrating stilbene-imine derivatives bearing vinylene (-CH-CH-) and azomethine (-CH-N-) as additives in carboxymethyl cellulose (CMC) based electrolyte. The investigation on their spectroscopic and theoretical assessments were conducted to alter the energy level in improving the structural and ionic conductivity performance. The simulated results from frontier molecular orbitals (FMO) and Mulliken-charge analysis revealed that -CF3 and -NO2 substituents significantly reduce the HOMO-LUMO gap up to 0.68 eV. The highest ionic conductivity of SBEs achieved at ambient tem-perature was similar to 8 x 10(-3) Scm(-1) upon the addition of additive, obeying an Arrhenius model with reciprocal of temperature (303 K-373 K). The coordination interaction of C-O bond and CH=N band facilitated the dissociation of more cation (H+) of NH4Cl which permits alternative route for H+ to hop into coordinating site in CMC. The outcomes are ideal in the development of electrochemical devices.

  DOI：

  10.1016/j.carbpol.2020.116935

文献信息

• Pesticidal Compositions
  申请人：Crouse Gary D.

  公开号：US20100204165A1

  公开（公告）日：2010-08-12

  The invention disclosed in this document is related to the field of pesticides and their use in controlling pests. A compound having the following structure is disclosed.

  本文件所披露的发明涉及农药领域及其用于控制害虫。披露了一种具有以下结构的化合物。