2-(2,6-dimethylphenyl)-4-methyl-6-phenylthiopyrylium hexafluorophosphate | 384850-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,6-dimethylphenyl)-4-methyl-6-phenylthiopyrylium hexafluorophosphate
• 英文别名: 2-(2,6-Dimethylphenyl)-4-methyl-6-phenylthiopyrylium;hexafluorophosphate
• CAS: 384850-34-4
• 化学式: C₂₀H₁₉S*F₆P
• 分子量: 436.401
• InChiKey: SSRSLRNHGYAXFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.67
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2,6-dimethylphenyl)-4-methyl-6-phenylthiopyrylium hexafluorophosphate 、 diethyl [4-(4-oxo-6-phenyl-4H-thiopyran-2-yl)phenyl]phosphonate 在 乙酸酐 作用下， 反应 3.0h， 以88%的产率得到2,6-di-tertbutyl-4-((2-4-(diethoxyphosphorylphenyl)-6-phenyl-4H-thiopyran-4-ylidene)methyl)thiopyrylium hexafluorophosphate
  参考文献：
  名称：

  Synthesis and Photoelectrochemical Performance of Chalcogenopyrylium Monomethine Dyes Bearing Phosphonate/Phosphonic Acid Substituents

  摘要：

  Chalcogenopyrylium monomethine dyes were prepared via condensation of a 4-methylchalcogenopyrylium compound with a chalcogenopyran-4-one bearing a 4-(diethoxyphosphoryl)phenyl substituent (or the phosphonic acid derivative). The dyes have absorbance maxima of 603-697 nm in the window where the solar spectrum is most intense. The dyes formed H-aggregates on TiO2, increasing the light-harvesting efficiency of the dyes. Shortcircuit photocurrent action spectra were acquired to evaluate the influence of dye structure on the photoelectrochemical performance.

  DOI：

  10.1021/jo401280s