1,2-Bis[6-(4-formylphenyl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene | 374625-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1,2-Bis[6-(4-formylphenyl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene
• CAS: 374625-47-5
• 化学式: C₃₇H₂₂F₆O₂S₂
• 分子量: 676.703
• InChiKey: JAKFCBZMLLAYST-UHFFFAOYSA-N

物化性质

• 沸点：
  763.4±60.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.52
• 重原子数：
  47.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 、 1,2-Bis[6-(4-formylphenyl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene 在 potassium carbonate 、 sodium periodate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以13%的产率得到1,2-Bis{6-[4-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)phenyl]-2-methyl-1-benzothiophen-3-yl}hexafluorocyclopentene
  参考文献：
  名称：

  使用光致变色自旋耦合器的分子内磁相互作用的光开关：ESR 研究

  摘要：

  DOI：

  10.1021/ja001767u
• 作为产物：
  描述：

  1,2-二[2-甲基苯并[B]噻吩-3-基]-3,3,4,4,5,5-六氟-1-环戊烯 在 碘 、 高碘酸 作用下， 生成 1,2-Bis[6-(4-formylphenyl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene
  参考文献：
  名称：

  使用光致变色自旋耦合器的分子内磁相互作用的光开关：ESR 研究

  摘要：

  DOI：

  10.1021/ja001767u

文献信息

• Photochromism of Diarylethenes with Two Nitronyl Nitroxides: Photoswitching of an Intramolecular Magnetic Interaction
  作者：Kenji Matsuda、Masahiro Irie

  DOI：10.1002/1521-3765(20010817)7:16<3466::aid-chem3466>3.0.co;2-x

  日期：2001.8.17

  Photochromic diarylethenes that have p-phenylene-substituted benzothiophene aryl groups with and without nitronyl nitroxide radicals at both ends of the molecules were synthesized. The absorption maxima of the closed-ring isomers showed a hypsochromic shift with the increase in the pi -conjugated chain length. The unique behavior was attributed to the stabilization by the resonant quinoid structures. Both photocyclization and photocycloreversion quantum yields of the diarylethene with nitronyl nitroxide radicals were found to increase with the increase in the pi -conjugated chain length. Photoswitching of the magnetic interaction between two nitronyl nitroxide radicals was studied by means of ESR spectroscopy. The change in exchange interaction between open- and closed-ring isomers of 1,2bis-6-4-[4-(1-oxyl-3-oxide-4,4,5,5-tetra-methylimidazolin-2-yl)phenyl]phenyl}-2-methyl-1-benzothiophen-3-yl}hexa-fluorocyclopentene was determined to be more than 30-fold.