8-iodo-3-methyl-3-octene | 117941-80-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 英文名称: 8-iodo-3-methyl-3-octene
• 英文别名: 8-iodo-3-methyloct-3-ene
• CAS: 117941-80-7；117941-81-8
• 化学式: C₉H₁₇I
• 分子量: 252.138
• InChiKey: WZYHUYFZAYYONP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  10.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  8-iodo-3-methyl-3-octene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 48.0h， 生成 3-甲基辛-3-烯 、 sec-Butyl-cyclopentan
  参考文献：
  名称：

  Concerning the mechanism of reaction of lithium aluminum hydride with alkyl halides

  摘要：

  A detailed study of the mechanism of reaction of LiAlH4 with alkyl halides has been carried out with special emphasis on the use of radical probes. The data presented strongly support the validity of using radical probes in this reaction as an indication of an electron-transfer process. These studies also suggest a radical chain process (hydrogen atom transfer) in addition to the halogen atom transfer process on which we reported earlier. Studies to determine the influence of impurities as well as a potential metal-halogen exchange process are also reported.

  DOI：

  10.1021/jo00004a047
• 作为产物：
  描述：

  5-溴戊醛 、 甲基锂 、 sec-butyltriphenylphosphonium iodide 生成 8-bromo-3-methyl-3-octene 、 8-iodo-3-methyl-3-octene
  参考文献：
  名称：

  Concerning the mechanism of reaction of lithium aluminum hydride with alkyl halides

  摘要：

  A detailed study of the mechanism of reaction of LiAlH4 with alkyl halides has been carried out with special emphasis on the use of radical probes. The data presented strongly support the validity of using radical probes in this reaction as an indication of an electron-transfer process. These studies also suggest a radical chain process (hydrogen atom transfer) in addition to the halogen atom transfer process on which we reported earlier. Studies to determine the influence of impurities as well as a potential metal-halogen exchange process are also reported.

  DOI：

  10.1021/jo00004a047