(Z)-methyl 4-(5-bromo-3-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)-2-oxoindolin-1-yl)benzoate | 1450915-09-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (Z)-methyl 4-(5-bromo-3-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)-2-oxoindolin-1-yl)benzoate
• CAS: 1450915-09-9
• 化学式: C₃₉H₂₇BrN₂O₃S
• 分子量: 683.625
• InChiKey: TWBRNHJZYHYQRJ-CKWSZQMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.65
• 重原子数：
  46.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (Z)-methyl 4-(5-bromo-3-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)-2-oxoindolin-1-yl)benzoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以80%的产率得到(Z)-4-(5-bromo-3-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)-2-oxoindolin-1-yl)benzoic acid
  参考文献：
  名称：

  Novel Oxindole Based Sensitizers: Synthesis and Application in Dye-Sensitized Solar Cells

  摘要：

  Two novel oxindole sensitizers have been synthesized for dye-sensitized solar cell applications. These new dyes can provide an additional pathway to inject electrons into the photoanode through the partial chelation of their amide carbonyl groups to the TiO2 surface. Incorporation of an electron deficient pyridine in the acceptor of the TI125 dye was found to enhance the photovoltage and conversion efficiency of the cell.

  DOI：

  10.1021/ol401527a
• 作为产物：
  描述：

  5-溴氧化吲哚 在 哌啶 、 copper peroxide 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 (Z)-methyl 4-(5-bromo-3-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)-2-oxoindolin-1-yl)benzoate
  参考文献：
  名称：

  Novel Oxindole Based Sensitizers: Synthesis and Application in Dye-Sensitized Solar Cells

  摘要：

  Two novel oxindole sensitizers have been synthesized for dye-sensitized solar cell applications. These new dyes can provide an additional pathway to inject electrons into the photoanode through the partial chelation of their amide carbonyl groups to the TiO2 surface. Incorporation of an electron deficient pyridine in the acceptor of the TI125 dye was found to enhance the photovoltage and conversion efficiency of the cell.

  DOI：

  10.1021/ol401527a