N,N'-bis(4-bromo-2,6-dimethylphenyl)-1,6,7,12-tetrakis[4'-(1'',1'',3'',3''-tetramethylbutyl)phenoxy]perylene-3,4:9,10-tetracarboxydiimide | 845638-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: N,N'-bis(4-bromo-2,6-dimethylphenyl)-1,6,7,12-tetrakis[4'-(1'',1'',3'',3''-tetramethylbutyl)phenoxy]perylene-3,4:9,10-tetracarboxydiimide
• 英文别名: N,N'-bis(2,6-dimethyl-4-bromophenyl)-1,6,7,12-tetra[4'-(1'',1'',3'',3''-tetramethylbutyl)phenoxy]perylene-3,4,9,10-tetracarboxdiimide；7,18-Bis(4-bromo-2,6-dimethylphenyl)-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• CAS: 845638-95-1
• 化学式: C₉₆H₁₀₄Br₂N₂O₈
• 分子量: 1573.7
• InChiKey: MRYJXINYSFNEEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.4
• 重原子数：
  108
• 可旋转键数：
  22
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  三异丙基硅基乙炔 、 N,N'-bis(4-bromo-2,6-dimethylphenyl)-1,6,7,12-tetrakis[4'-(1'',1'',3'',3''-tetramethylbutyl)phenoxy]perylene-3,4:9,10-tetracarboxydiimide 在 copper(l) iodide bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  双（吡啶基）取代的Per二酰亚胺配体的合成及其通过配位驱动的自组装结合到超分子菱形和矩形中

  摘要：

  报道了双（吡啶基）取代的per二酰亚胺配体的合成及其通过铂介导的自组装结合到超分子菱形和矩形中。两个集合都通过多核NMR和电喷雾电离质谱法进行表征。另外，相对于起始配体，整体的UV / vis光谱显示出位移和增强的吸收。使用MM2模拟进行的尺寸估算显示，组件的长度几乎为46Å。

  DOI：

  10.1021/jo048239b
• 作为产物：
  描述：

  对特辛基苯酚 、 N,N'-bis(4-bromo-2,6-dimethylphenyl)-1,6,7,12-tetrachloroperylene-3,4:9,10-tetracarboxydiimide 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 16.0h， 以80%的产率得到N,N'-bis(4-bromo-2,6-dimethylphenyl)-1,6,7,12-tetrakis[4'-(1'',1'',3'',3''-tetramethylbutyl)phenoxy]perylene-3,4:9,10-tetracarboxydiimide
  参考文献：
  名称：

  双（吡啶基）取代的Per二酰亚胺配体的合成及其通过配位驱动的自组装结合到超分子菱形和矩形中

  摘要：

  报道了双（吡啶基）取代的per二酰亚胺配体的合成及其通过铂介导的自组装结合到超分子菱形和矩形中。两个集合都通过多核NMR和电喷雾电离质谱法进行表征。另外，相对于起始配体，整体的UV / vis光谱显示出位移和增强的吸收。使用MM2模拟进行的尺寸估算显示，组件的长度几乎为46Å。

  DOI：

  10.1021/jo048239b

文献信息

• Multichromophoric Polyphenylene Dendrimers:  Toward Brilliant Light Emitters with an Increased Number of Fluorophores
  作者：Ingo Oesterling、Klaus Müllen

  DOI：10.1021/ja067174m

  日期：2007.4.1

  Two routes for the introduction of highly fluorescent peryleneimide chromophores into the scaffolding of polyphenylene dendrimers via iterative Diels-Alder cycloadditions are presented. The key intermediates for the divergent dendrimer buildup were two cyclopentadienone branching units carrying two peryleneimides and two masked terminal alkynes. The difference between the two reagents is the mode of incorporation of the chromophores. In the first case, the chromophores were attached to the alpha-position of the tetraphenylcyclopentadienones. In the second case, peryleneimides are used as a "spacer" in the beta-position of the cyclopentadienones giving rise to dendrimers with extended molecular diameters (up to 12 nm) and 24 chromophores within their scaffold. Absorption and emission characteristics of the new multichromophoric nanoparticles were investigated and compared to those of the parent dyes. Additionally, an asymmetrically substituted first-generation dendrimer with six perylene diimide chromophores and one ester functionality is reported. The ester serves as a potential anchor group, and this nanoemitter paves the way to a multichromophoric fluorescence label. All dendrimers have good solubility in common organic solvents, high fluorescence quantum yields, and defined distances between the chromophores, making them attractive candidates for single-molecule spectroscopy.
• Synthesis of a Bis(pyridyl)-Substituted Perylene Diimide Ligand and Incorporation into a Supramolecular Rhomboid and Rectangle via Coordination Driven Self-Assembly
  作者：Chris Addicott、Ingo Oesterling、Takuya Yamamoto、Klaus Müllen、Peter J. Stang

  DOI：10.1021/jo048239b

  日期：2005.2.1

  The synthesis of a bis(pyridyl)-substituted perylene diimide ligand and its incorporation into a supramolecular rhomboid and rectangle via platinum-mediated self-assembly is reported. Both ensembles are characterized by multinuclear NMR and electrospray ionization mass spectrometry. In addition, the UV/vis spectra of the ensembles exhibit displaced and enhanced absorptions relative to the starting

  报道了双（吡啶基）取代的per二酰亚胺配体的合成及其通过铂介导的自组装结合到超分子菱形和矩形中。两个集合都通过多核NMR和电喷雾电离质谱法进行表征。另外，相对于起始配体，整体的UV / vis光谱显示出位移和增强的吸收。使用MM2模拟进行的尺寸估算显示，组件的长度几乎为46Å。