4-(4-butyl-N-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]anilino)benzaldehyde | 230623-57-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-butyl-N-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]anilino)benzaldehyde
• CAS: 230623-57-1
• 化学式: C₃₅H₄₉NO₂Si
• 分子量: 543.865
• InChiKey: TXRYOKODNIYLML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.44
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-butyl-N-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]anilino)benzaldehyde 在 正丁基锂 、 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 33.75h， 生成 2-[5-[2-[4-(4-butyl-N-[4-(6-hydroxyhexyl)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：

  6-溴-1-己烯 在 咪唑 、 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 9-borabicyclo[3.3.1]nonane dimer 、 双氧水 、 叔丁基锂 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.17h， 生成 4-(4-butyl-N-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]anilino)benzaldehyde
  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

文献信息

• Synthesis of Functionalized Organic Second-Order Nonlinear Optical Chromophores for Electrooptic Applications
  作者：S. Thayumanavan、Jeffrey Mendez、Seth R. Marder

  DOI：10.1021/jo981707v

  日期：1999.6.1

  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.