| 1257405-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1257405-35-8
• 化学式: C₂₄H₁₈OS
• 分子量: 354.472
• InChiKey: ARFAMSPUGKFZBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.17
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 polymethylmethacrylate 作用下， 生成 3-(5-Methylthiophen-2-yl)-3-phenylbenzo[f]chromene
  参考文献：
  名称：

  Photochromic Properties of Naphthopyrans – PMMA Thin Film

  摘要：

  A class of naphthopyran derivatives (3a-10a) with electron-donating and electron-acceptor substituent is prepared by condensation of 1,2-diaryl-2-propyn-1-ol with beta-naphthol in the presence of pyridinium para-toluenesulfonate (PPTS) as catalyst. All compounds go ring-opening isomerization in polymethylmethacrylate (PMMA) matrix with UV light irradiation (30 watt) and the maximum absorption of ring-opening isomers is at the range of 426-556 nm. Ring-opening isomers are completely back to ring-closing isomers when samples are kept in darkness, the bleach rate of ring-opening isomers in PMMA film increased significantly when temperature is more than 45 degrees C. Fatigue testing showed that no significant change of optical density was detected after 10 cycles.

  DOI：

  10.1080/15421400802697566
• 作为产物：
  描述：

  3-(5-Methylthiophen-2-yl)-3-phenylbenzo[f]chromene 在 polymethylmethacrylate 作用下， 生成
  参考文献：
  名称：

  Photochromic Properties of Naphthopyrans – PMMA Thin Film

  摘要：

  A class of naphthopyran derivatives (3a-10a) with electron-donating and electron-acceptor substituent is prepared by condensation of 1,2-diaryl-2-propyn-1-ol with beta-naphthol in the presence of pyridinium para-toluenesulfonate (PPTS) as catalyst. All compounds go ring-opening isomerization in polymethylmethacrylate (PMMA) matrix with UV light irradiation (30 watt) and the maximum absorption of ring-opening isomers is at the range of 426-556 nm. Ring-opening isomers are completely back to ring-closing isomers when samples are kept in darkness, the bleach rate of ring-opening isomers in PMMA film increased significantly when temperature is more than 45 degrees C. Fatigue testing showed that no significant change of optical density was detected after 10 cycles.

  DOI：

  10.1080/15421400802697566