(4-Butyl-phenyl)-(4-hex-5-enyl-phenyl)-phenyl-amine | 230623-64-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (4-Butyl-phenyl)-(4-hex-5-enyl-phenyl)-phenyl-amine
• 英文别名: 4-butyl-N-(4-hex-5-enylphenyl)-N-phenylaniline
• CAS: 230623-64-0
• 化学式: C₂₈H₃₃N
• 分子量: 383.577
• InChiKey: OUQLTPXCGZPMRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-Butyl-phenyl)-(4-hex-5-enyl-phenyl)-phenyl-amine 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 、 sodium ethanolate 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.92h， 生成 4-butyl-N-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]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
• 作为产物：
  描述：

  4-正丁基苯胺 在 1,1'-双(二苯基膦)二茂铁 、 tris(dibenzylideneacetone)dipalladium (0) 、 叔丁基锂 、 sodium t-butanolate 作用下， 反应 22.25h， 生成 (4-Butyl-phenyl)-(4-hex-5-enyl-phenyl)-phenyl-amine
  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