1,2-bis(6-(5-(5-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-thienyl)-2-thienyl)-2-methyl-1-benzothiophene-3-yl)hexafluorocyclopentene | 392303-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 1,2-bis(6-(5-(5-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-thienyl)-2-thienyl)-2-methyl-1-benzothiophene-3-yl)hexafluorocyclopentene
• CAS: 392303-68-3
• 化学式: C₅₃H₄₄F₆N₄O₄S₆
• 分子量: 1107.34
• InChiKey: NVGNZUVGIIVOFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  73
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  235
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  1,2-bis(6-(5-(5-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-thienyl)-2-thienyl)-2-methyl-1-benzothiophene-3-yl)hexafluorocyclopentene 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Photoswitching of Intramolecular Magnetic Interaction Using Diarylethene with Oligothiophene π-Conjugated Chain

  摘要：

  Diarylethenes having two nitronyl nitroxide radicals at both ends of the molecule with oligothiophene spacers were synthesized. The diradicals underwent photochromic reactions upon alternate irradiation with UV and visible light. ESR spectra of the diradicals reversibly changed with the photochromism. The magnetic interaction between spins through oligothiophene spacers was stronger than that through oligophenylene spacers, and the photochromic reactivity of the diradical diarylethenes with oligothiophene spacers was much reduced. The difference of the exchange interaction between open- and closed-ring form isomers was estimated to be more than 150-fold.

  DOI：

  10.1021/jo010597g
• 作为产物：
  描述：

  5'-iodo-[2,2'-bithiophene]-5-carbaldehyde 在 正丁基锂 、 硼酸三丁酯 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 苯 为溶剂， 反应 39.17h， 生成 1,2-bis(6-(5-(5-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-2-thienyl)-2-thienyl)-2-methyl-1-benzothiophene-3-yl)hexafluorocyclopentene
  参考文献：
  名称：

  Photoswitching of Intramolecular Magnetic Interaction Using Diarylethene with Oligothiophene π-Conjugated Chain

  摘要：

  Diarylethenes having two nitronyl nitroxide radicals at both ends of the molecule with oligothiophene spacers were synthesized. The diradicals underwent photochromic reactions upon alternate irradiation with UV and visible light. ESR spectra of the diradicals reversibly changed with the photochromism. The magnetic interaction between spins through oligothiophene spacers was stronger than that through oligophenylene spacers, and the photochromic reactivity of the diradical diarylethenes with oligothiophene spacers was much reduced. The difference of the exchange interaction between open- and closed-ring form isomers was estimated to be more than 150-fold.

  DOI：

  10.1021/jo010597g

文献信息

• Photoswitching of Intramolecular Magnetic Interaction Using Diarylethene with Oligothiophene π-Conjugated Chain
  作者：Kenji Matsuda、Mitsuyoshi Matsuo、Masahiro Irie

  DOI：10.1021/jo010597g

  日期：2001.12.1

  Diarylethenes having two nitronyl nitroxide radicals at both ends of the molecule with oligothiophene spacers were synthesized. The diradicals underwent photochromic reactions upon alternate irradiation with UV and visible light. ESR spectra of the diradicals reversibly changed with the photochromism. The magnetic interaction between spins through oligothiophene spacers was stronger than that through oligophenylene spacers, and the photochromic reactivity of the diradical diarylethenes with oligothiophene spacers was much reduced. The difference of the exchange interaction between open- and closed-ring form isomers was estimated to be more than 150-fold.