3-(Azulen-1-yl)-1-propyl methanesulfonate | 252331-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(Azulen-1-yl)-1-propyl methanesulfonate
• CAS: 252331-12-7
• 化学式: C₁₄H₁₆O₃S
• 分子量: 264.345
• InChiKey: NRYCPFVMTFTIKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(Azulen-1-yl)-1-propyl methanesulfonate 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以82%的产率得到1-(Azulen-1-yl)-3-iodopropane
  参考文献：
  名称：

  Spatially Resolved Thermalization Dynamics of Electronically Photoexcited Azulene Probed by a Molecular Integrated Thermometer

  摘要：

  The vibrational cooling process of photoexcited azulene (Az) was studied by using a covalently connected molecular thermometer (coumarin 151 (C151)). The transient absorption at the red edge of the absorption band of C151 detected after the photoexcitation of azulene is attributed to the hot band absorption of C151. First, the time profile of the transient absorption signals of the integrated molecule Az-CH2-C151 was examined by two thermalization models: one of which includes the intermolecular energy transfer through the sigma-bond and through the solvent, and the other includes only the through-solvent path. From these analyses, it is found that the cooling times of azulene in the solvents used here were found to be less than 7 ps. These results indicate that there is a fast cooling process after the relaxation of the electronically excited state compared with that reported before. The transient absorption spectrum and its time profile of a compound with a longer chain (Az-(CH2)(3)-C151) are very similar to those of Az-CH2-C151 except for the much weaker intensity. These facts indicate that the molecular structure of Az-(CH2)(3)-C151 is flexible and the distance between the thermometer (C151) and the heater (azulene) is short.

  DOI：

  10.1021/jp991000s
• 作为产物：
  描述：

  Ethyl 3-(azulen-1-yl)-2-propanoate 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 甲醚 为溶剂， 反应 3.5h， 生成 3-(Azulen-1-yl)-1-propyl methanesulfonate
  参考文献：
  名称：

  Spatially Resolved Thermalization Dynamics of Electronically Photoexcited Azulene Probed by a Molecular Integrated Thermometer

  摘要：

  The vibrational cooling process of photoexcited azulene (Az) was studied by using a covalently connected molecular thermometer (coumarin 151 (C151)). The transient absorption at the red edge of the absorption band of C151 detected after the photoexcitation of azulene is attributed to the hot band absorption of C151. First, the time profile of the transient absorption signals of the integrated molecule Az-CH2-C151 was examined by two thermalization models: one of which includes the intermolecular energy transfer through the sigma-bond and through the solvent, and the other includes only the through-solvent path. From these analyses, it is found that the cooling times of azulene in the solvents used here were found to be less than 7 ps. These results indicate that there is a fast cooling process after the relaxation of the electronically excited state compared with that reported before. The transient absorption spectrum and its time profile of a compound with a longer chain (Az-(CH2)(3)-C151) are very similar to those of Az-CH2-C151 except for the much weaker intensity. These facts indicate that the molecular structure of Az-(CH2)(3)-C151 is flexible and the distance between the thermometer (C151) and the heater (azulene) is short.

  DOI：

  10.1021/jp991000s