3-Ethyl-1-methoxy-pentan-3-ol | 90951-91-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Ethyl-1-methoxy-pentan-3-ol
• 英文别名: 3-Ethyl-1-methoxypentan-3-ol；3-ethyl-1-methoxypentan-3-ol
• CAS: 90951-91-0
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: ZSWMUQIOQJIZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲氧基丙酸乙酯 、 乙基溴化镁 以 乙醚 为溶剂， 生成 3-Ethyl-1-methoxy-pentan-3-ol
  参考文献：
  名称：

  Bifunctional even-electron ions: 1—Fragmentation behaviour of ω-methoxy-, ω-hydroxy- and ω-chloro-oxonium ions

  摘要：

  AbstractBifunctional oxonium ions—generated from tertiary aliphatic alcohols containing an additional hydroxy, methoxy or chloro group at the end of an alkyl side‐chain—do not markedly exhibit fragmentations typical of ordinary oxonium ions, but show as the main reactions those caused by functional group interaction, through‐space interaction being the dominant factor. The main primary fragmentation is loss of the additional functional group X as HX, followed by loss of the side‐chain originally separating the two functional groups, leading to carbonyl cations. This typical reaction sequence is initiated by proton migration from the oxonium moiety to the additional functional group. The reaction behaviour of the bifunctional ions is discussed. The lowest homologues show specific deviations from the general fragmentation behaviour.

  DOI：

  10.1002/oms.1210201008

文献信息

• Bifunctional even-electron ions: 1—Fragmentation behaviour of ω-methoxy-, ω-hydroxy- and ω-chloro-oxonium ions
  作者：U. I. Záhorszky

  DOI：10.1002/oms.1210201008

  日期：1985.10

  AbstractBifunctional oxonium ions—generated from tertiary aliphatic alcohols containing an additional hydroxy, methoxy or chloro group at the end of an alkyl side‐chain—do not markedly exhibit fragmentations typical of ordinary oxonium ions, but show as the main reactions those caused by functional group interaction, through‐space interaction being the dominant factor. The main primary fragmentation is loss of the additional functional group X as HX, followed by loss of the side‐chain originally separating the two functional groups, leading to carbonyl cations. This typical reaction sequence is initiated by proton migration from the oxonium moiety to the additional functional group. The reaction behaviour of the bifunctional ions is discussed. The lowest homologues show specific deviations from the general fragmentation behaviour.