1-(6-(1-oxyl-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)-2-(6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene | 863610-00-8

• 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-(6-(1-oxyl-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)-2-(6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene
• CAS: 863610-00-8
• 化学式: C₃₇H₃₆F₆N₄O₃S₂
• 分子量: 762.84
• InChiKey: MCBTXKASHRAWFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.0
• 重原子数：
  52.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  84.71
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(6-(1-oxyl-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)-2-(6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene 以 乙酸乙酯 为溶剂， 生成 2-[(1R,2R)-12,12,13,13,14,14-hexafluoro-1,2-dimethyl-20-(4,4,5,5-tetramethyl-1-oxidoimidazol-2-yl)-3,23-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,10,15,17(22),18,20-octaen-6-yl]-4,4,5,5-tetramethyl-3-oxidoimidazole-1,3-diium 1-oxide
  参考文献：
  名称：

  Effect of Imino Nitroxyl and Nitronyl Nitroxyl Groups on the Photochromic Reactivity of Diarylethenes

  摘要：

  Diarylethene derivatives having imino nitroxide and nitronyl nitroxide have been prepared to examine the effect of the radical substituents on the photochromic reactivity of 1,2-bis(2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene. These radical substituents reduce the quantum yields of both cyclization and cycloreversion reactions. The nitronyl nitroxyl moiety is more effective to suppress the reactivity in comparison with the imino nitroxide moiety.

  DOI：

  10.1021/ol051463i
• 作为产物：
  描述：

  1,2-bis(6-iodo-2-methyl-1-benzothiophen-3-yl)hexafluorocyclopentene 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 25.0h， 生成 1-(6-(1-oxyl-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)-2-(6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene
  参考文献：
  名称：

  Effect of Imino Nitroxyl and Nitronyl Nitroxyl Groups on the Photochromic Reactivity of Diarylethenes

  摘要：

  Diarylethene derivatives having imino nitroxide and nitronyl nitroxide have been prepared to examine the effect of the radical substituents on the photochromic reactivity of 1,2-bis(2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene. These radical substituents reduce the quantum yields of both cyclization and cycloreversion reactions. The nitronyl nitroxyl moiety is more effective to suppress the reactivity in comparison with the imino nitroxide moiety.

  DOI：

  10.1021/ol051463i