6-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-[(2-oxochromen-6-yl)methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]chromen-2-one | 873776-55-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-[(2-oxochromen-6-yl)methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]chromen-2-one
• 英文别名: 6-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[(2-oxochromen-6-yl)methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]chromen-2-one
• CAS: 873776-55-7
• 化学式: C₄₇H₃₀F₆O₆S₂
• 分子量: 868.874
• InChiKey: MBEFFFOPOOWSTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  61
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  6-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-[(2-oxochromen-6-yl)methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]chromen-2-one 生成 、
  参考文献：
  名称：

  A multi-photo responsive photochromic dithienylethene containing coumarin derivative

  摘要：

  A complex photochromic diarylethene derivative containing photo-responsive coumarin groups was synthesized by an efficient method. The dimerization of coumarin groups and photochromism of diarylethene can be controlled respectively to produce the four corresponding states, which were verified by H-1 NMR, fluorescent, UV-vis spectroscopy and mass spectrometry. This compound gives a unique example for the controllable switch of both optical properties and chemical composition by light and chemical stimuli. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.102
• 作为产物：
  描述：

  6-甲基香豆素 在 N-溴代丁二酰亚胺(NBS) 、 18-冠醚-6 、 偶氮二异丁腈 、 potassium carbonate 作用下， 以 四氯化碳 、 丙酮 为溶剂， 生成 6-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-[(2-oxochromen-6-yl)methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]chromen-2-one
  参考文献：
  名称：

  A multi-photo responsive photochromic dithienylethene containing coumarin derivative

  摘要：

  A complex photochromic diarylethene derivative containing photo-responsive coumarin groups was synthesized by an efficient method. The dimerization of coumarin groups and photochromism of diarylethene can be controlled respectively to produce the four corresponding states, which were verified by H-1 NMR, fluorescent, UV-vis spectroscopy and mass spectrometry. This compound gives a unique example for the controllable switch of both optical properties and chemical composition by light and chemical stimuli. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.102