5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(2-perylen-3-ylethynyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene | 904315-05-5

• 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: 5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(2-perylen-3-ylethynyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• CAS: 904315-05-5
• 化学式: C₆₂H₄₇BN₂
• 分子量: 830.88
• InChiKey: DOOAGFIDVJBKHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  65
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  7.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-乙炔基苝 、 硼,[3-乙基-5-[1-(4-乙基-3,5-二甲基-2H-吡咯-2-亚基-kN)乙基]-2,4-二甲基-1H-吡咯酸根-kN]二氟-,(T-4)- 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以15%的产率得到5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(2-perylen-3-ylethynyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
  参考文献：
  名称：

  Unsaturated dipyrromethene-boron borocarbons

  摘要：

  该发明涉及式(I)的不饱和二吡咯甲烷硼硼碳化物以及其用于荧光或电致发光分析的用途。荧光性质由中心环的六个原子组成的—N—B—N—序列提供，R1到R7允许修改化合物性质（荧光发射波长，定量荧光产率），至少一个取代基S1和S2具有一个色团末端基团，该基团允许在波长接近取代基色团的情况下激发分子。首选选择具有接近紫外光波长的色团取代基，可显著增加斯托克斯位移。

  公开号：

  US07897786B2

文献信息

• New fluorescent aryl- or ethynylaryl-boron-substituted indacenes as promising dyes
  作者：Gilles Ulrich、Christine Goze、S?bastien Goeb、Pascal Retailleau、Raymond Ziessel

  DOI：10.1039/b604830g

  日期：——

  A generic design principle based on the use of organometallic (Li or Mg) reagents for the substitution of the fluoro ligands in difluoroboradiazaindacene is described. A library of compounds bearing various substituents (butyl, phenyl, naphthyl, pyrenyl, ethynylnaphthyl, ethynylfluorenyl, ethynylcarbazoyl, ethynylperylenyl, ethynylthiophenyl and ethynylterpyridinyl) has been prepared and characterized. Electrochemical and photochemical measurements show that these novel dyes remain redox-active and strongly luminescent. They offer an interesting perspective for applications in labelling and electroluminescence.

  描述了基于使用有机金属（Li 或 Mg）试剂取代二氟硼二氮茚中的氟配体的通用设计原理。已制备并表征了带有各种取代基（丁基、苯基、萘基、芘基、乙炔基萘基、乙炔基芴基、乙炔基咔唑酰基、乙炔基苝基、乙炔基苯硫基和乙炔基三联吡啶基）的化合物库。电化学和光化学测量表明，这些新型染料仍然具有氧化还原活性和强发光性。它们为标记和电致发光的应用提供了有趣的视角。
• Unsaturated dipyrromethene-boron borocarbons
  申请人：Centre National de la Recherche Scientifique (C.N.R.S.)

  公开号：US07897786B2

  公开（公告）日：2011-03-01

  The invention relates to unsaturated dipyrromethene-boron borocarbons of formula (I) and the use thereof for fluorescence or electroluminescent analysis. The fluorescent properties are provided by the central ring of six atoms comprising the —N—B—N— sequence, R1 to R7 permitting the modification of the compound properties (fluorescence emission wavelength, quantitative fluorescent yield), at least one of the substituents S1 and S2 has a chromophore end group which permits an excitation of the molecule at wavelengths close to those of the substituent chromophore. A preferably selected from the chromophore substituents with a wavelength close to the ultraviolet which significantly increases the Stokes displacement.

  该发明涉及式(I)的不饱和二吡咯甲烷硼硼碳化物以及其用于荧光或电致发光分析的用途。荧光性质由中心环的六个原子组成的—N—B—N—序列提供，R1到R7允许修改化合物性质（荧光发射波长，定量荧光产率），至少一个取代基S1和S2具有一个色团末端基团，该基团允许在波长接近取代基色团的情况下激发分子。首选选择具有接近紫外光波长的色团取代基，可显著增加斯托克斯位移。