(3E,5E)-Octa-1,3,5,7-tetraene | 72257-39-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (3E,5E)-Octa-1,3,5,7-tetraene
• CAS: 72257-39-7
• 化学式: C₈H₁₀
• 分子量: 106.167
• InChiKey: ZXWXCWBOLKJFSC-KQQUZDAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  8.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  bicyclo[2.2.2]octa-2,5-diene 以 solid matrix 为溶剂， 生成 、 、 、 (3E,5E)-Octa-1,3,5,7-tetraene
  参考文献：
  名称：

  双环[2.2.2] octa-2,5-二烯自由基阳离子的新型光化学反应

  摘要：

  The radical cation of bicyclo[2.2.2]octa-2,5-diene produced in a gamma-irradiated Freon matrix at 77 K shows a broad charge-resonance absorption band with lambda(max) = 680 nm. In contrast to earlier experiments in argon matrices, it was found that the primary photoreaction of this species is a cleavage to yield the recently described complex cation between benzene and ethylene whose lambda(max) happens to coincide with that of the above precursor cation. This complex cation can in turn be converted eventually to 1,3,5,7-octatetraene radical cation. In the presence of an excess of ethylene, the above complex cation undergoes a photoaddition yielding a C10H14.+ whose spectrum indicates the presence of a linear conjugated triene chromophore. The electronic structure of the different radical cations involved in this study is discussed and a reaction scheme is proposed.

  DOI：

  10.1021/j100184a033