5-[2-[4-(4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde | 230623-80-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-[2-[4-(4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde
• CAS: 230623-80-0
• 化学式: C₄₆H₆₃NO₃SSi
• 分子量: 738.163
• InChiKey: ZLHFLAGBDJTTRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.64
• 重原子数：
  52.0
• 可旋转键数：
  22.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-[2-[4-(4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde 在 溶剂黄146 作用下， 生成 5-[(Z)-2-[4-(4-butyl-N-[4-[2-(3-hydroxypropoxy)ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde 、 5-[(E)-2-[4-(4-butyl-N-[4-[2-(3-hydroxypropoxy)ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde
  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 、 正丁基锂 、 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 61.75h， 生成 5-[2-[4-(4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde
  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