4'-ethynyl-5,5'-dinitro-4-phenylethynyl-biphenyl-2,2'-diamine | 556067-96-0

• 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: 4'-ethynyl-5,5'-dinitro-4-phenylethynyl-biphenyl-2,2'-diamine
• CAS: 556067-96-0
• 化学式: C₂₂H₁₄N₄O₄
• 分子量: 398.378
• InChiKey: XATGMJINKXOZAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.72
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138.32
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-乙酰巯基-4-碘苯 、 4'-ethynyl-5,5'-dinitro-4-phenylethynyl-biphenyl-2,2'-diamine 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以36%的产率得到thioacetic acid S-[4-(2,2-diamino-5,5-dinitro-4-phenylethynyl-biphenyl-4-ylethynyl)-phenyl] ester
  参考文献：
  名称：

  Biphenyl- and fluorenyl-based potential molecular electronic devices

  摘要：

  New potential molecular electronics devices have been synthesized based on our knowledge of systems that we previously studied. Research has shown that simple molecular systems demonstrate negative differential resistance (NDR) and memory characteristics. The new molecules rely primarily on the redox properties of the compounds to improve upon the solid-state characteristics already observed. Electrochemical tests have been performed in order to evaluate the redox properties with the hope that the electrochemical results can be used as a predictive tool to evaluate the usefulness of those compounds in device configurations. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00334-x
• 作为产物：
  描述：

  4,4'-二溴-2,2'-二硝基联苯 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 tin 、 copper(l) iodide 、 硫酸 、 水 、 硝酸 、 potassium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 23.42h， 生成 4'-ethynyl-5,5'-dinitro-4-phenylethynyl-biphenyl-2,2'-diamine
  参考文献：
  名称：

  Biphenyl- and fluorenyl-based potential molecular electronic devices

  摘要：

  New potential molecular electronics devices have been synthesized based on our knowledge of systems that we previously studied. Research has shown that simple molecular systems demonstrate negative differential resistance (NDR) and memory characteristics. The new molecules rely primarily on the redox properties of the compounds to improve upon the solid-state characteristics already observed. Electrochemical tests have been performed in order to evaluate the redox properties with the hope that the electrochemical results can be used as a predictive tool to evaluate the usefulness of those compounds in device configurations. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00334-x