N-{4-[4-(4-formylaminophenylethynyl)phenylethynyl]phenyl}formamide | 546112-60-1

• 英文名称: N-{4-[4-(4-formylaminophenylethynyl)phenylethynyl]phenyl}formamide
• 英文别名: N-[4-[2-[4-[2-(4-formamidophenyl)ethynyl]phenyl]ethynyl]phenyl]formamide
• CAS: 546112-60-1
• 化学式: C₂₄H₁₆N₂O₂
• 分子量: 364.403
• InChiKey: NOGODDNRILEGEI-UHFFFAOYSA-N

物化性质

• 沸点：
  660.9±50.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-{4-[4-(4-formylaminophenylethynyl)phenylethynyl]phenyl}formamide 在 三光气 、 四丁基氯化铵 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 以12%的产率得到1,4-bis(4-isocyanophenylethynyl)benzene
  参考文献：
  名称：

  Improved and new syntheses of potential molecular electronics devices

  摘要：

  New syntheses of ethyl and nitro substituted oligo(phenylene ethynylene)s (OPEs) have been developed. To further explore whether the presence of nitro functionality in OPEs leads to switching and memory capabilities, new nitro substituted OPEs have been designed and synthesized. An isatogen-based system, a structure that is isomeric to the nitro OPE, has been synthesized. Additionally, pyridine-based and chromium-based compounds have been synthesized. We surmise that redox reactions of these candidates may impart switching capabilities and electrochemical studies are shown. U-shaped OPEs were synthesized to inhibit leakage of metals deposited during formation of top contacts on self-assembled monolayers (SAMs). The OPEs contain either thiol-based moieties or isonitrile groups to enable formation of SAMs on metal substrates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00246-1
• 作为产物：
  描述：

  对碘苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 乙酸酐 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 N-{4-[4-(4-formylaminophenylethynyl)phenylethynyl]phenyl}formamide
  参考文献：
  名称：

  Improved and new syntheses of potential molecular electronics devices

  摘要：

  New syntheses of ethyl and nitro substituted oligo(phenylene ethynylene)s (OPEs) have been developed. To further explore whether the presence of nitro functionality in OPEs leads to switching and memory capabilities, new nitro substituted OPEs have been designed and synthesized. An isatogen-based system, a structure that is isomeric to the nitro OPE, has been synthesized. Additionally, pyridine-based and chromium-based compounds have been synthesized. We surmise that redox reactions of these candidates may impart switching capabilities and electrochemical studies are shown. U-shaped OPEs were synthesized to inhibit leakage of metals deposited during formation of top contacts on self-assembled monolayers (SAMs). The OPEs contain either thiol-based moieties or isonitrile groups to enable formation of SAMs on metal substrates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00246-1