nonyl ester dichloroacetic acid | 83004-99-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: nonyl ester dichloroacetic acid
• 英文别名: Nonyl dichloroacetate；nonyl 2,2-dichloroacetate
• CAS: 83004-99-3
• 化学式: C₁₁H₂₀Cl₂O₂
• 分子量: 255.185
• InChiKey: XKMMRMJBZDCIHI-UHFFFAOYSA-N

物化性质

• 保留指数：
  1584.1

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  nonyl ester dichloroacetic acid 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以282 mg的产率得到1-壬醇
  参考文献：
  名称：

  Using N-Nitrosodichloroacetamides to Conveniently Convert Linear Primary Amines into Alcohols

  摘要：

  The reported rearrangement of N-nitrosodichloroacetamides provides a practicalmethod for converting primary amines into primary alcohols. The reaction sequence is operationally simple, requires only a single purification, and is compatible with a number of common functional groups. Mechanistic studies of the nitrosylation and rearrangement reactions illustrate the increased utility of dichloroacetamides compared to various other amides for this transformation.

  DOI：

  10.1080/00397911.2015.1061672
• 作为产物：
  描述：

  以 乙酸乙酯 为溶剂， 反应 24.0h， 生成 nonyl ester dichloroacetic acid
  参考文献：
  名称：

  Using N-Nitrosodichloroacetamides to Conveniently Convert Linear Primary Amines into Alcohols

  摘要：

  The reported rearrangement of N-nitrosodichloroacetamides provides a practicalmethod for converting primary amines into primary alcohols. The reaction sequence is operationally simple, requires only a single purification, and is compatible with a number of common functional groups. Mechanistic studies of the nitrosylation and rearrangement reactions illustrate the increased utility of dichloroacetamides compared to various other amides for this transformation.

  DOI：

  10.1080/00397911.2015.1061672

文献信息

• Khaskin, I. G.; Migaichuk, I. V., Journal of applied chemistry of the USSR, 1983, vol. 56, # 4, p. 896 - 899
  作者：Khaskin, I. G.、Migaichuk, I. V.

  DOI：——

  日期：——
• Using <i>N</i>-Nitrosodichloroacetamides to Conveniently Convert Linear Primary Amines into Alcohols
  作者：Nicholas S. MacArthur、Linshu Wang、Blaine G. McCarthy、Charles E. Jakobsche

  DOI：10.1080/00397911.2015.1061672

  日期：2015.9.2

  The reported rearrangement of N-nitrosodichloroacetamides provides a practicalmethod for converting primary amines into primary alcohols. The reaction sequence is operationally simple, requires only a single purification, and is compatible with a number of common functional groups. Mechanistic studies of the nitrosylation and rearrangement reactions illustrate the increased utility of dichloroacetamides compared to various other amides for this transformation.

表征谱图