cis-p-hydroxycinnamic thiophenyl ester | 915088-66-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: cis-p-hydroxycinnamic thiophenyl ester
• 英文别名: S-phenyl (Z)-3-(4-hydroxyphenyl)prop-2-enethioate
• CAS: 915088-66-3
• 化学式: C₁₅H₁₂O₂S
• 分子量: 256.325
• InChiKey: VLUIGAOFASAWIQ-FLIBITNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cis-p-hydroxycinnamic thiophenyl ester 生成 S-phenyl trans-thio-p-hydroxycinnamate
  参考文献：
  名称：

  Photochemical Reaction of p-hydroxycinnamic-thiophenyl Ester in the Microcrystalline State

  摘要：

  We have studied the photochromic reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state We attributed the fluorescence spectral evolution of the microcrystal under UV irradiation to the photoinduced trans-to-cis isomerization The photocyclic behavior of the chromophore was demonstrated by cis-to-trans back reaction under a subsequent visible light irradiation In addition the [2 2] topochemical photocyclodimer was observed as another photoproduct It is considered that the cooperative photoisomerization is initiated at the local lattice distortion and free spaces around the [2 + 2] cyclodimer near the crystal sui lace and the photoisomerization induces larger lattice deformation and further photoisomerization in the interior of the crystal

  DOI：

  10.1021/jp909850r
• 作为产物：
  描述：

  S-phenyl trans-thio-p-hydroxycinnamate 生成 cis-p-hydroxycinnamic thiophenyl ester 、
  参考文献：
  名称：

  Photochemical Reaction of p-hydroxycinnamic-thiophenyl Ester in the Microcrystalline State

  摘要：

  We have studied the photochromic reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state We attributed the fluorescence spectral evolution of the microcrystal under UV irradiation to the photoinduced trans-to-cis isomerization The photocyclic behavior of the chromophore was demonstrated by cis-to-trans back reaction under a subsequent visible light irradiation In addition the [2 2] topochemical photocyclodimer was observed as another photoproduct It is considered that the cooperative photoisomerization is initiated at the local lattice distortion and free spaces around the [2 + 2] cyclodimer near the crystal sui lace and the photoisomerization induces larger lattice deformation and further photoisomerization in the interior of the crystal

  DOI：

  10.1021/jp909850r