N,N-diethyl-4-[5-methyl-4-[3,3,4,4-tetrafluoro-5,5-dimethoxy-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline | 1289470-90-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-diethyl-4-[5-methyl-4-[3,3,4,4-tetrafluoro-5,5-dimethoxy-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline
• CAS: 1289470-90-1
• 化学式: C₃₃H₃₃F₄NO₂S₂
• 分子量: 615.756
• InChiKey: VTJNNTAKVSWHJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N-diethyl-4-[5-methyl-4-[3,3,4,4-tetrafluoro-5,5-dimethoxy-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline 以 正己烷 为溶剂， 生成 N,N-diethyl-4-(9,9,10,10-tetrafluoro-8,8-dimethoxy-1,2-dimethyl-14-phenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)aniline
  参考文献：
  名称：

  Photoswitching of an alcohol-sensitive photochromic diarylethene

  摘要：

  The closed-ring isomer of diarylethene 1a, 1-(2-methyl-5-(4-N,N-diethylaminophenyl)thien-3-yl)-2-(2-methyl-5-phenylthien-3-yl)perfluorocyclopentene was found to cause the substitution reaction with primary alcohols at room temperature. The open-ring isomer 1a was stable in the alcohols. The product obtained in methanol was isolated by HPLC, and the structure was identified by H-1 NMR, mass spectrometry, and X-ray crystallographic analysis. It was revealed that two fluorine atoms were replaced with methoxy groups. The substitution reaction was also caused with ethylene glycol to form the five-membered ring. Both the products also showed photochromism, and had absorption maxima and photocycloreversion quantum yields different from those of 1a. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.039
• 作为产物：
  描述：

  N,N-diethyl-4-(9,9,10,10-tetrafluoro-8,8-dimethoxy-1,2-dimethyl-14-phenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)aniline 以 正己烷 为溶剂， 生成 N,N-diethyl-4-[5-methyl-4-[3,3,4,4-tetrafluoro-5,5-dimethoxy-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline
  参考文献：
  名称：

  Photoswitching of an alcohol-sensitive photochromic diarylethene

  摘要：

  The closed-ring isomer of diarylethene 1a, 1-(2-methyl-5-(4-N,N-diethylaminophenyl)thien-3-yl)-2-(2-methyl-5-phenylthien-3-yl)perfluorocyclopentene was found to cause the substitution reaction with primary alcohols at room temperature. The open-ring isomer 1a was stable in the alcohols. The product obtained in methanol was isolated by HPLC, and the structure was identified by H-1 NMR, mass spectrometry, and X-ray crystallographic analysis. It was revealed that two fluorine atoms were replaced with methoxy groups. The substitution reaction was also caused with ethylene glycol to form the five-membered ring. Both the products also showed photochromism, and had absorption maxima and photocycloreversion quantum yields different from those of 1a. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.039