3ThacacH | 1251145-38-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3ThacacH
• CAS: 1251145-38-6
• 化学式: C₂₀H₂₀O₂S₃
• 分子量: 388.576
• InChiKey: JKKZNAHKKCYYGP-POHAHGRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.08
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3ThacacH 以 苯 为溶剂， 生成
  参考文献：
  名称：

  A Versatile Photochromic Dithienylethene-Containing β-Diketonate Ligand: Near-Infrared Photochromic Behavior and Photoswitchable Luminescence Properties upon Incorporation of a Boron(III) Center

  摘要：

  A versatile dithienylethene-containing beta-diketonate ligand and its boron(III) compounds have been successfully synthesized. Upon photocyclization, the ligand shows a new absorption band at 630 nm with good fatigue resistance and high thermal stability. Incorporation of the boron center has been demonstrated to shift the photochromic behavior to the NIR region.

  DOI：

  10.1021/ja105537j
• 作为产物：
  描述：

  以 苯 为溶剂， 生成 3ThacacH
  参考文献：
  名称：

  A Versatile Photochromic Dithienylethene-Containing β-Diketonate Ligand: Near-Infrared Photochromic Behavior and Photoswitchable Luminescence Properties upon Incorporation of a Boron(III) Center

  摘要：

  A versatile dithienylethene-containing beta-diketonate ligand and its boron(III) compounds have been successfully synthesized. Upon photocyclization, the ligand shows a new absorption band at 630 nm with good fatigue resistance and high thermal stability. Incorporation of the boron center has been demonstrated to shift the photochromic behavior to the NIR region.

  DOI：

  10.1021/ja105537j