Ethyl 3-(azulen-1-yl)-2-propenoate | 252331-09-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Ethyl 3-(azulen-1-yl)-2-propenoate
• CAS: 252331-09-2
• 化学式: C₁₅H₁₄O₂
• 分子量: 226.275
• InChiKey: PAEFWETXSRNSAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Ethyl 3-(azulen-1-yl)-2-propenoate 在 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 nickel dichloride 作用下， 以 甲醇 、 甲醚 为溶剂， 反应 11.0h， 生成 3-(Azulen-1-yl)-1-propanol
  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：

  磷酰基乙酸三乙酯 、 薁-1-甲醛 在 sodium hydride 作用下， 以 苯 为溶剂， 反应 6.0h， 以77%的产率得到Ethyl 3-(azulen-1-yl)-2-propenoate
  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