3-hydroxymethyl-3',5'-bis(tert-butyldimethylsilyloxy)-3"-fluorotriphenylamine | 529503-52-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-hydroxymethyl-3',5'-bis(tert-butyldimethylsilyloxy)-3"-fluorotriphenylamine
• 英文别名: [3-(N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-3-fluoroanilino)phenyl]methanol
• CAS: 529503-52-4
• 化学式: C₃₁H₄₄FNO₃Si₂
• 分子量: 553.865
• InChiKey: YNBFVSZOBVHZQR-UHFFFAOYSA-N

物化性质

• 沸点：
  565.9±50.0 °C(predicted)
• 密度：
  1.058±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.56
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  41.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-hydroxymethyl-3',5'-bis(tert-butyldimethylsilyloxy)-3"-fluorotriphenylamine 在 四丁基氟化铵 作用下， 反应 18.0h， 以99%的产率得到3-hydroxymethyl-3',5'-dihydroxy-3"-fluorotriphenylamine
  参考文献：
  名称：

  Synthesis of Nonconjugated Dendrons with a Redox Gradient

  摘要：

  Macromolecules with built-in redox gradients are of much interest due to their potential in a variety of optoelectronic and energy-harvesting applications. In this paper, the design and synthesis of nonconjugated dendrons with redox gradients to guide the charge flow from the core to the periphery is described. The dendrons reported here are based on benzyl ether connectivities. The repeat units of the dendrons are based on triarylamines, and the periphery units of the dendrons are based on N,N,N',N'-tetraarylbenzidine units. The presence of a redox gradient after incorporation of these charge-transporting units into the dendrons is supported by cyclic voltammetric studies.

  DOI：

  10.1021/jo034066z
• 作为产物：
  描述：

  间溴氟苯 在 2,6-二甲基吡啶 、 1,1'-双(二苯基膦)二茂铁 、 sodium tetrahydroborate 、 tris(dibenzylideneacetone)dipalladium (0) 、 叔丁基锂 、 三溴化硼 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 166.25h， 生成 3-hydroxymethyl-3',5'-bis(tert-butyldimethylsilyloxy)-3"-fluorotriphenylamine
  参考文献：
  名称：

  Synthesis of Nonconjugated Dendrons with a Redox Gradient

  摘要：

  Macromolecules with built-in redox gradients are of much interest due to their potential in a variety of optoelectronic and energy-harvesting applications. In this paper, the design and synthesis of nonconjugated dendrons with redox gradients to guide the charge flow from the core to the periphery is described. The dendrons reported here are based on benzyl ether connectivities. The repeat units of the dendrons are based on triarylamines, and the periphery units of the dendrons are based on N,N,N',N'-tetraarylbenzidine units. The presence of a redox gradient after incorporation of these charge-transporting units into the dendrons is supported by cyclic voltammetric studies.

  DOI：

  10.1021/jo034066z