(3-N,N-di-n-butylamino)benzyltriphenylphosphonium chloride | 179739-04-9

• 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: (3-N,N-di-n-butylamino)benzyltriphenylphosphonium chloride
• 英文别名: 3-(N,N-dibutylamino)benzyltriphenylphosphonium chloride；3-N,N-dibutylaminobenzyltriphenylphosphonium chloride；{[3-(Dibutylamino)phenyl]methyl}(triphenyl)phosphanium chloride；[3-(dibutylamino)phenyl]methyl-triphenylphosphanium;chloride
• CAS: 179739-04-9
• 化学式: C₃₃H₃₉NP*Cl
• 分子量: 516.106
• InChiKey: CBJZBOIVNVUMDO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  异喹啉-5-甲醛 、 (3-N,N-di-n-butylamino)benzyltriphenylphosphonium chloride 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 5-(3-(N,N-dibutylamino)styryl)isoquinoline
  参考文献：
  名称：

  调整荧光状态的性质：以取代缩聚染料为例

  摘要：

  广泛的光谱分析显示了带有供体-受体取代的细长缩聚染料。沿长分子轴极化的电荷转移（CT）状态在能量上与缩聚系统的局部激发（LE）接近，而沿短分子轴大致极化，这使得该系统特别适合研究细微的分子。 LE / CT相互作用。提出了一个基本状态模型，该模型定量地重现了在不同极性和粘度的溶剂中收集的吸收光谱和荧光光谱以及荧光发射和激发各向异性光谱，这为理解溶剂极性和溶剂弛豫如何影响溶剂光谱奠定了坚实的基础。低层激发的性质。

  DOI：

  10.1002/chem.201202154
• 作为产物：
  描述：

  3-N,N-dibutylaminobutyl benzoate 在 lithium aluminium tetrahydride 、 五氯化磷 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 17.0h， 生成 (3-N,N-di-n-butylamino)benzyltriphenylphosphonium chloride
  参考文献：
  名称：

  Anellated Hemicyanine Dyes with Large Symmetrical Solvatochromism of Absorption and Fluorescence

  摘要：

  A novel class of amphiphilic hemicyanine dyes is described where electron-pushing aniline and electron-pulling pyridinium are joined by anellated benzene rings. Enhancing the solvent polarity, the absorption band of these ANNINE dyes is shifted to the blue and the fluorescence band is shifted to the red at an invariant 00 energy. The increasing Stokes shift spans the whole visible spectrum. The divergent symmetrical solvatochromism of the positively charged chromophores is parametrized by a monopole-dipole model using a Born-Onsager-Marcus approach. From the intramolecular charge shift that is induced by electronic excitation, the linear Stark effect that is expected when the ANNINE dyes are used as voltage-sensitive probes in a biomembrane is estimated.

  DOI：

  10.1021/jp0345809

文献信息

• Highly stable 7-N,N-dibutylamino-2-azaphenanthrene and 8-N,N-dibutylamino-2-azachrysene as a new class of second order NLO-active chromophores
  作者：Valentina Calabrese、Silvio Quici、Ester Rossi、Elena Cariati、Claudia Dragonetti、Dominique Roberto、Elisa Tordin、Filippo De Angelis、Simona Fantacci

  DOI：10.1039/c0cc02781b

  日期：——

  7-N,N-Dibutylamino-2-azaphenanthrene (L3), 8-N,N-dibutylamino-2-azachrysene (L4) and related Ir(I) complexes or alkylated salts show high second-order NLO responses, as determined by the EFISH technique and DFT calculations. L4 is appealing as building block for NLO active materials due to its unexpected large μβ1.907value and its very high thermal stability.

  根据 EFISH 技术和 DFT 计算，7-N,N-二丁氨基-2-氮杂菲（L3）、8-N,N-二丁氨基-2-氮杂蒽（L4）和相关的 Ir(I) 复合物或烷基化盐显示出很高的二阶 NLO 响应。L4 具有意想不到的大μβ1.907 值和极高的热稳定性，因此很有吸引力成为 NLO 活性材料的构件。
• OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP1644722A1

  公开（公告）日：2006-04-12
• Optimized Determination of Voltage Changes Using a Voltage-Sensitive Dye
  申请人：Kuhn Bernd

  公开号：US20080122428A1

  公开（公告）日：2008-05-29

  The present invention relates to a method of determining voltage changes, e.g. in cell membranes, by means of a voltage-sensitive dye.
• [EN] OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE<br/>[FR] DETERMINATION OPTIMISEE DE CHANGEMENT DE TENSIONS UTILISANT UN COLORANT SENSIBLE A LA TENSION
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2005001448A1

  公开（公告）日：2005-01-06

  The present invention relates to a method of determining voltage changes, e.g. in cell membranes, by means of a voltage-sensitive dye.
• Anellated Hemicyanine Dyes with Large Symmetrical Solvatochromism of Absorption and Fluorescence
  作者：Gerd Hübener、Armin Lambacher、Peter Fromherz

  DOI：10.1021/jp0345809

  日期：2003.8.1

  A novel class of amphiphilic hemicyanine dyes is described where electron-pushing aniline and electron-pulling pyridinium are joined by anellated benzene rings. Enhancing the solvent polarity, the absorption band of these ANNINE dyes is shifted to the blue and the fluorescence band is shifted to the red at an invariant 00 energy. The increasing Stokes shift spans the whole visible spectrum. The divergent symmetrical solvatochromism of the positively charged chromophores is parametrized by a monopole-dipole model using a Born-Onsager-Marcus approach. From the intramolecular charge shift that is induced by electronic excitation, the linear Stark effect that is expected when the ANNINE dyes are used as voltage-sensitive probes in a biomembrane is estimated.