1-(3-hydroxypropyl)-3,3,5',6'-tetramethyl-spiro[2H-indole-2,2'-[2H]pyrano[3,2-b]pyridinium] iodide | 1393522-65-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-(3-hydroxypropyl)-3,3,5',6'-tetramethyl-spiro[2H-indole-2,2'-[2H]pyrano[3,2-b]pyridinium] iodide
• CAS: 1393522-65-0
• 化学式: C₂₂H₂₇N₂O₂*I
• 分子量: 478.373
• InChiKey: RIDJJVIMQQPEHH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  36.58
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(3-hydroxypropyl)-3,3,5',6'-tetramethyl-spiro[2H-indole-2,2'-[2H]pyrano[3,2-b]pyridinium] iodide 在 六氟磷酸银 作用下， 生成
  参考文献：
  名称：

  Ultrafast Dynamics of a Spiropyran in Water

  摘要：

  The reversible switching of a water-soluble spiropyran compound is recorded over 1 ns by means of femtosecond vis-pump/vis- and IR-probe spectroscopy under aqueous conditions. Our investigations reveal that the photochemical conversion from the closed spiropyran to the open merocyanine takes 1.6 ps whereas the reversed photoreaction is accomplished within 25 ps. The combination of time-resolved and steady-state observations allows us to reveal central parts of the reaction pathway leading to either form. The enhanced water solubility, its fast and efficient switching behavior, and its stability against hydrolysis over a time range of several weeks make this compound an attractive and versatile tool for biological applications.

  DOI：

  10.1021/ja304395k
• 作为产物：
  描述：

  以 水 为溶剂， 生成 1-(3-hydroxypropyl)-3,3,5',6'-tetramethyl-spiro[2H-indole-2,2'-[2H]pyrano[3,2-b]pyridinium] iodide
  参考文献：
  名称：

  Ultrafast Dynamics of a Spiropyran in Water

  摘要：

  The reversible switching of a water-soluble spiropyran compound is recorded over 1 ns by means of femtosecond vis-pump/vis- and IR-probe spectroscopy under aqueous conditions. Our investigations reveal that the photochemical conversion from the closed spiropyran to the open merocyanine takes 1.6 ps whereas the reversed photoreaction is accomplished within 25 ps. The combination of time-resolved and steady-state observations allows us to reveal central parts of the reaction pathway leading to either form. The enhanced water solubility, its fast and efficient switching behavior, and its stability against hydrolysis over a time range of several weeks make this compound an attractive and versatile tool for biological applications.

  DOI：

  10.1021/ja304395k