2-cyano-3-[10-(2-ethylhexyl)-10H-phenothiazin-3-yl]acrylic acid | 1174220-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-cyano-3-[10-(2-ethylhexyl)-10H-phenothiazin-3-yl]acrylic acid
• 英文别名: 2-cyano-3-[10-(2-ethylhexyl)phenothiazin-3-yl]prop-2-enoic acid
• CAS: 1174220-02-0
• 化学式: C₂₄H₂₆N₂O₂S
• 分子量: 406.549
• InChiKey: XXUMKUIYZXLETC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.33
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  10-(2-乙基己基)吩噻嗪 在 ammonium acetate 、 三氯氧磷 作用下， 生成 2-cyano-3-[10-(2-ethylhexyl)-10H-phenothiazin-3-yl]acrylic acid
  参考文献：
  名称：

  Numbers of cyanovinyl substitutes and their effect on phenothiazine based organic dyes for dye-sensitized solar cells

  摘要：

  苯噻嗪基染料（OMS1-3），包括不同的共轭长度和电子亏损（氰乙烯基）官能团的数量已经合成。OMS3染料在苯噻嗪核心之间有两个氰乙烯基官能团，展现出4.00%的最佳电池性能。

  DOI：

  10.1039/c7ra13751f

文献信息

• Dye compound for dye-sensitized solar cells, dye-sensitized photoelectric converter and dye-sensitized solar cells
  申请人：Samsung Electro-Mechanics Co., Ltd

  公开号：EP2192159A3

  公开（公告）日：2011-03-09

  A dye compound for solar cells, a dye-sensitized photoelectric converter and dye-sensitized solar cells are provided. The photoelectric conversion efficiency of solar cells is improved by using the dye compound: of which X is at least one aromatic group and symmetric about the X-R1 bond axis or at least hetero aromatic group having at least one hetero atom chosen from N and S and symmetric about the X-R1 bond axis; R1is substituted or unsubstituted C1 to C20 cyclic alkyl or substituted or unsubstituted C1 to C20 linear alkyl; L1 and L2 are substituted or unsubstituted hydrocarbons having 2 to 8 conjugated p-orbitals; Y1 and Y2 are better electron-withdrawing groups than X and may contain at least one acidic hydrogen which is able to form a hydrogen bond.

  提供了一种用于太阳能电池的染料化合物，染料敏化光电转换器和染料敏化太阳能电池。通过使用染料化合物，提高了太阳能电池的光电转换效率：其中X至少是一个芳香族基团，并且关于X-R1键轴对称，或者至少是一个含有至少一个来自N和S的杂原子的杂环芳基团，并且关于X-R1键轴对称；R1被取代或未取代的C1到C20环烷基或取代或未取代的C1到C20直链烷基；L1和L2是取代或未取代的具有2到8个共轭p轨道的碳氢化合物；Y1和Y2比X更好地吸电子基团，并且可能含有至少一个能够形成氢键的酸性氢。
• Numbers of cyanovinyl substitutes and their effect on phenothiazine based organic dyes for dye-sensitized solar cells
  作者：Yung-Chung Chen、Yuan-Tsung Kuo、Chia-Jung Liang

  DOI：10.1039/c7ra13751f

  日期：——

  Phenothiazine based dyes (OMS1–3), comprising different conjugation lengths, numbers of electron deficient (cyanovinyl) moieties have been synthesized. OMS3 dye has two cyanovinyl moieties between phenothiazine core exhibits the best cell performance at 4.00%.

  苯噻嗪基染料（OMS1-3），包括不同的共轭长度和电子亏损（氰乙烯基）官能团的数量已经合成。OMS3染料在苯噻嗪核心之间有两个氰乙烯基官能团，展现出4.00%的最佳电池性能。