4,4''-dibromo-2,2''-dinitro-1,1':4',1''-terphenyl | 1418104-23-0

• 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: 4,4''-dibromo-2,2''-dinitro-1,1':4',1''-terphenyl
• 英文别名: 4-Bromo-1-[4-(4-bromo-2-nitrophenyl)phenyl]-2-nitrobenzene；4-bromo-1-[4-(4-bromo-2-nitrophenyl)phenyl]-2-nitrobenzene
• CAS: 1418104-23-0
• 化学式: C₁₈H₁₀Br₂N₂O₄
• 分子量: 478.096
• InChiKey: XWRRZAKSJVTGRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,4''-dibromo-2,2''-dinitro-1,1':4',1''-terphenyl 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 、 potassium iodide 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 49.0h， 生成 4,4''-didodecyl-2,2''-diiodo-1,1':4',1''-terphenyl
  参考文献：
  名称：

  Structurally Defined Graphene Nanoribbons with High Lateral Extension

  摘要：

  Oxidative cyclodehydrogenation of laterally extended polyphenylene precursor allowed bottom-up synthesis of structurally defined graphene nanoribbons (GNRs) with unprecedented width. The efficiency.of the cyclodehydrogenation was validated by means of MALDI-TOF MS, FT-IR, Raman, and UV-vis absorption spectroscopies as well as investigation of a representative model system. The produced GNRs demonstrated broad absorption extended to near-infrared region with the optical band gap of as low as 1.12 eV.

  DOI：

  10.1021/ja307697j
• 作为产物：
  描述：

  2,5-二溴硝基苯 、 1,4-苯二硼酸 在 四(三苯基膦)钯 、 甲基三辛基氯化铵 、 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 72.0h， 以51%的产率得到4,4''-dibromo-2,2''-dinitro-1,1':4',1''-terphenyl
  参考文献：
  名称：

  Structurally Defined Graphene Nanoribbons with High Lateral Extension

  摘要：

  Oxidative cyclodehydrogenation of laterally extended polyphenylene precursor allowed bottom-up synthesis of structurally defined graphene nanoribbons (GNRs) with unprecedented width. The efficiency.of the cyclodehydrogenation was validated by means of MALDI-TOF MS, FT-IR, Raman, and UV-vis absorption spectroscopies as well as investigation of a representative model system. The produced GNRs demonstrated broad absorption extended to near-infrared region with the optical band gap of as low as 1.12 eV.

  DOI：

  10.1021/ja307697j

文献信息

• [EN] OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS<br/>[FR] MONOMÈRES OLIGOPHÉNYLÈNE ET PRÉCURSEURS POLYMÈRES DESTINÉS À PRODUIRE DES NANORUBANS DE GRAPHÈNE
  申请人：BASF SE

  公开号：WO2013061256A1

  公开（公告）日：2013-05-02

  Oligophenylene monomers for the synthesis of polymeric precursors for the preparation of graphene nanoribbons, the polymeric precursors, and methods for preparing them, as well as methods for preparing the graphene nanoribbons from the polymeric precursors and the monomers are provided.

  提供了用于合成聚合物前体以制备石墨烯纳米带的寡苯单体、聚合物前体以及其制备方法，以及从聚合物前体和单体制备石墨烯纳米带的方法。
• OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS
  申请人：BASF SE

  公开号：US20140301935A1

  公开（公告）日：2014-10-09

  Oligophenylene monomers for the synthesis of polymeric precursors for the preparation of graphene nanoribbons, the polymeric precursors, and methods for preparing them, as well as methods for preparing the graphene nanoribbons from the polymeric precursors and the monomers are provided.

  本发明提供用于合成制备石墨烯纳米带的聚合物前体的寡苯单体，聚合物前体以及其制备方法，以及从聚合物前体和单体制备石墨烯纳米带的方法。
• Structurally Defined Graphene Nanoribbons with High Lateral Extension
  作者：Matthias Georg Schwab、Akimitsu Narita、Yenny Hernandez、Tatyana Balandina、Kunal S. Mali、Steven De Feyter、Xinliang Feng、Klaus Müllen

  DOI：10.1021/ja307697j

  日期：2012.11.7

  Oxidative cyclodehydrogenation of laterally extended polyphenylene precursor allowed bottom-up synthesis of structurally defined graphene nanoribbons (GNRs) with unprecedented width. The efficiency.of the cyclodehydrogenation was validated by means of MALDI-TOF MS, FT-IR, Raman, and UV-vis absorption spectroscopies as well as investigation of a representative model system. The produced GNRs demonstrated broad absorption extended to near-infrared region with the optical band gap of as low as 1.12 eV.