4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-[4-[2-(4-hexylthiophen-2-yl)ethenyl]phenyl]aniline | 230623-74-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-[4-[2-(4-hexylthiophen-2-yl)ethenyl]phenyl]aniline
• CAS: 230623-74-2
• 化学式: C₄₅H₆₃NO₂SSi
• 分子量: 710.152
• InChiKey: IZHDCLXDPGLQAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.82
• 重原子数：
  50.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-[4-[2-(4-hexylthiophen-2-yl)ethenyl]phenyl]aniline 在 正丁基锂 、 溶剂黄146 作用下， 反应 28.75h， 生成 2-[5-[2-[4-(4-butyl-N-[4-[2-(3-hydroxypropoxy)ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophen-2-yl]ethene-1,1,2-tricarbonitrile
  参考文献：
  名称：

  Synthesis of Functionalized Organic Second-Order Nonlinear Optical Chromophores for Electrooptic Applications

  摘要：

  The design and syntheses of functionalized second-order nonlinear optical chromophores, suitable for covalent incorporation into functionalized high-performance polymers, are described. The chromophores with hydroxy alkyl functionality have diarylamino groups as the donor moiety and a styryl thiophene moiety as the conjugated bridge. The triarylamine parts of the molecules were synthesized using palladium-catalyzed C-N bond forming reactions. The conjugated bridge was assembled using the Wittig reaction. The acceptor groups were installed in the last steps of the syntheses.

  DOI：

  10.1021/jo981707v
• 作为产物：
  描述：

  ((4-bromothiophene-2-yl)methoxy)(tert-butyl)dimethylsilane 在 盐酸 、 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 、 四丁基氟化铵 、 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 、 xylene 为溶剂， 反应 57.0h， 生成 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-[4-[2-(4-hexylthiophen-2-yl)ethenyl]phenyl]aniline
  参考文献：
  名称：

  Synthesis of Functionalized Organic Second-Order Nonlinear Optical Chromophores for Electrooptic Applications

  摘要：

  The design and syntheses of functionalized second-order nonlinear optical chromophores, suitable for covalent incorporation into functionalized high-performance polymers, are described. The chromophores with hydroxy alkyl functionality have diarylamino groups as the donor moiety and a styryl thiophene moiety as the conjugated bridge. The triarylamine parts of the molecules were synthesized using palladium-catalyzed C-N bond forming reactions. The conjugated bridge was assembled using the Wittig reaction. The acceptor groups were installed in the last steps of the syntheses.

  DOI：

  10.1021/jo981707v