N-[4-[N-acetyl-3-[N-acetyl-4-(N-acetylanilino)anilino]anilino]phenyl]-N-phenylacetamide | 184154-65-2

• 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: N-[4-[N-acetyl-3-[N-acetyl-4-(N-acetylanilino)anilino]anilino]phenyl]-N-phenylacetamide
• CAS: 184154-65-2
• 化学式: C₃₈H₃₄N₄O₄
• 分子量: 610.712
• InChiKey: XXVXCCCEEJCANW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[4-[N-acetyl-3-[N-acetyl-4-(N-acetylanilino)anilino]anilino]phenyl]-N-phenylacetamide 在 sodium hydroxide 、 lead dioxide 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 反应 48.25h， 生成 1-N-phenyl-4-N-[3-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]cyclohexa-2,5-diene-1,4-diimine
  参考文献：
  名称：

  Stable Triplet-State Di(Cation Radicals) of a Meta−Para Aniline Oligomer by “Acid Doping”

  摘要：

  We describe the formation of a stable triplet-state oligoaniline di(cation radical) via a proton-triggered odor reaction between N,N'-bis[4-(phenylamino)phenyl]-1,3-benzenediamine (1) and N,N'-bis[4-(phenylimino)cyclohexa-2,5-dienylidene]-1,3-benzenediamine (2). In this reaction 1 is oxidized, while protonated 2 is reduced, both yielding the same di(cation radical) 1(2 . 2+). The di(cation radical) is characterized with UV/visisble/near-IR and ESR spectroscopy (D = 118 MHz; E approximate to 0 MHz). Variable-temperature ESR measurements are consistent with a triplet ground state fur 1(2 . 2+), The high stability of 1(2 . 2+) under ambient conditions demonstrates that alternating meta and para oligoanilines are interesting building blocks for future polaronic ferromagnets.

  DOI：

  10.1021/ja9616591
• 作为产物：
  描述：

  对氨基二苯胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) iodide 、 potassium carbonate 、 溶剂黄146 作用下， 以 various solvent(s) 为溶剂， 反应 26.0h， 生成 N-[4-[N-acetyl-3-[N-acetyl-4-(N-acetylanilino)anilino]anilino]phenyl]-N-phenylacetamide
  参考文献：
  名称：

  Stable Triplet-State Di(Cation Radicals) of a Meta−Para Aniline Oligomer by “Acid Doping”

  摘要：

  We describe the formation of a stable triplet-state oligoaniline di(cation radical) via a proton-triggered odor reaction between N,N'-bis[4-(phenylamino)phenyl]-1,3-benzenediamine (1) and N,N'-bis[4-(phenylimino)cyclohexa-2,5-dienylidene]-1,3-benzenediamine (2). In this reaction 1 is oxidized, while protonated 2 is reduced, both yielding the same di(cation radical) 1(2 . 2+). The di(cation radical) is characterized with UV/visisble/near-IR and ESR spectroscopy (D = 118 MHz; E approximate to 0 MHz). Variable-temperature ESR measurements are consistent with a triplet ground state fur 1(2 . 2+), The high stability of 1(2 . 2+) under ambient conditions demonstrates that alternating meta and para oligoanilines are interesting building blocks for future polaronic ferromagnets.

  DOI：

  10.1021/ja9616591