3,3'-dinitrotriphenylamine | 105391-34-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3'-dinitrotriphenylamine
• 英文别名: 3-Nitro-N-(3-nitrophenyl)-N-phenylbenzenamine；3-nitro-N-(3-nitrophenyl)-N-phenylaniline
• CAS: 105391-34-2
• 化学式: C₁₈H₁₃N₃O₄
• 分子量: 335.319
• InChiKey: CHUPGHVTNRGZBH-UHFFFAOYSA-N

物化性质

• 熔点：
  144.5-145.5 °C
• 沸点：
  507.9±35.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3'-dinitrotriphenylamine 在 盐酸 、 tin(ll) chloride 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以89%的产率得到3,3'-diaminotriphenylamine
  参考文献：
  名称：

  Facile Synthesis, Crystal Structures, and High-Spin Cationic States of All-para-Brominated Oligo(N-phenyl-m-aniline)s

  摘要：

  Syntheses of both the dimer (3) and the trimer (4) of all-para-brominated poly(N-phenyl-m-aniline)s (2c) were achieved in a one-pot procedure from the parent nonbrominated oligomers and benzyltrimethylammonium tribromide [(BTMA)Br-3]. An X-ray crystallographic analysis revealed that 4 has a U-shaped structure, suggesting that 2c easily adopts helical structures. Furthermore, the redox properties were investigated by the UV-vis and EPR measurements. It was confirmed that the both 3 and 4 can be oxidized into the dications 3(2+) and 4(2+) with triplet spin-multiplicity.

  DOI：

  10.1021/jo0160571
• 作为产物：
  描述：

  1-碘-3-硝基苯 、 苯胺 在 copper(l) iodide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 24.0h， 以45%的产率得到3,3'-dinitrotriphenylamine
  参考文献：
  名称：

  Facile Synthesis, Crystal Structures, and High-Spin Cationic States of All-para-Brominated Oligo(N-phenyl-m-aniline)s

  摘要：

  Syntheses of both the dimer (3) and the trimer (4) of all-para-brominated poly(N-phenyl-m-aniline)s (2c) were achieved in a one-pot procedure from the parent nonbrominated oligomers and benzyltrimethylammonium tribromide [(BTMA)Br-3]. An X-ray crystallographic analysis revealed that 4 has a U-shaped structure, suggesting that 2c easily adopts helical structures. Furthermore, the redox properties were investigated by the UV-vis and EPR measurements. It was confirmed that the both 3 and 4 can be oxidized into the dications 3(2+) and 4(2+) with triplet spin-multiplicity.

  DOI：

  10.1021/jo0160571

文献信息

• Condensations of 1,4-Cyclohexanediones and Secondary Aromatic Amines. II.<i>N</i>-Phenylation of Diarylamines
  作者：Kazuo Haga、Katsumasa Iwaya、Ryohei Kaneko

  DOI：10.1246/bcsj.59.803

  日期：1986.3

  The condensations of 1,4-cyclohexanedione with several diphenylamines were investigated in order to determine the limit of the utility of this reaction for the N-phenylation of aromatic secondary amines. 4-Methoxy-, 4,4′-dimethyl-, and 4,4′-dibromodiphenylamines produced their N-phenylated compounds in fairly good yields, but 4-hydroxy-, 3-methoxy-, and 4,4′-bis(dimethylamino)diphenylamines produced

  研究了 1,4-环己二酮与几种二苯胺的缩合反应，以确定该反应在芳族仲胺 N-苯基化反应中的应用极限。4-甲氧基-、4,4'-二甲基-和 4,4'-二溴二苯胺以相当好的产率生产它们的 N-苯基化化合物，但 4-羟基-、3-甲氧基-和 4,4'-双（二甲氨基）二苯胺的产率很低。硝基取代的二苯胺与 N-4-羟基苯基衍生物一起以低产率得到 N-苯基衍生物。N,N'-二苯基-对苯二胺和N,N'-二苯基联苯胺以良好的产率得到相应的四-N-苯基二胺。还研究了 N-苯基-1-萘胺、N-苯基-2-萘胺、二-2-吡啶胺、吩噻嗪和咔唑与 1,4-环己二酮的缩合。
• Thin film electroluminescence device and process for production thereof
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP0449125A2

  公开（公告）日：1991-10-02

  A thin film electroluminescence device and a process for production thereof. This device is characterized in that as a light emitting layer material or charge injection layer material, a polymer film having at least one of a light emitting layer function, a charge transport function and a charge injection function, and having a film thickness of not more than 0.5 µm is prepared by the vacuum evaporation method and used.

  一种薄膜电致发光装置及其生产工艺。该装置的特征在于，作为发光层材料或电荷注入层材料，使用真空蒸发法制备并使用具有发光层功能、电荷传输功能和电荷注入功能中至少一种功能且薄膜厚度不超过 0.5 µm 的聚合物薄膜。
• HAGA, KAZUO;IWAYA, KATSUMASA;KANEKO, RYOHEI, BULL. CHEM. SOC. JAP., 1986, 59, N 3, 803-807
  作者：HAGA, KAZUO、IWAYA, KATSUMASA、KANEKO, RYOHEI

  DOI：——

  日期：——
• US5443921A
  申请人：——

  公开号：US5443921A

  公开（公告）日：1995-08-22
• US5705284A
  申请人：——

  公开号：US5705284A

  公开（公告）日：1998-01-06