1-(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 | 273380-64-6

• 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-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: 273380-64-6
• 化学式: C₃₀H₂₅F₆N₂O₂S₂
• 分子量: 623.663
• InChiKey: IKIFQVJLFZQILJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.04
• 重原子数：
  42.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  49.21
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(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 在 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.08h， 以90%的产率得到1-(2-methyl-1-benzothiophen-3-yl)-2-(6-(1-oxyl-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
• 作为产物：
  描述：

  以 乙酸乙酯 为溶剂， 反应 0.17h， 生成 1-(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：

  Photochromism of diarylethenes having nitronyl nitroxides

  摘要：

  The photoreactivities of photochromic diarylethenes having nitronyl nitroxide radicals were studied in terms of the measurement of the quantum yields and the conversions in the photostationary state. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00209-4