ammonium 1-bromo-2-ethoxy-1-nitro-2-oxoethan-1-ide | 120051-17-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: ammonium 1-bromo-2-ethoxy-1-nitro-2-oxoethan-1-ide
• CAS: 120051-17-4
• 化学式: C₄H₅BrNO₄*H₄N
• 分子量: 229.03
• InChiKey: LEFJXPXVDRNUFY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105.94
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ammonium 1-bromo-2-ethoxy-1-nitro-2-oxoethan-1-ide 、 碘甲烷 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以28%的产率得到2-bromo-2-nitro-propionic acid ethyl ester
  参考文献：
  名称：

  Substitution of halogen atom in ?-halonitro compounds of the aliphatic series

  摘要：

  Ethyl alpha-halo-alpha-nitropropionate and -butyrate were prepared by alkylating ammonium salts of ethyl bromo- and chloronitroacetates. The addition of alkyl acrylates to alkyl chloronitroacetates or their salts gives dialkyl alpha-chloro-alpha-nitroglutarates. Sodium salts of ethyl alpha-nitro-alpha-sulfo-beta-hydroxypropionate and -butyrate were obtained by the sulfo-dehalogenation of ethyl alpha-chloro-alpha-nitro-beta-hydroxypropionate and -butyrate with sodium dithionite. Esters of a-amino acid hydrochlorides were prepared by the reduction of alkyl alpha-chloro-alpha-nitrocarboxylates. The hydrogenation of alkyl nitrosulfoacetates leads to the corresponding disodium salts of alkyl aminodisulfoacetates and piperazine-2,5-dione.

  DOI：

  10.1007/bf00717345

文献信息

• Reduction of ammonium halonitroacetate derivatives by thionyl chloride
  作者：A. I. Yurtanov、A. N. Chekhlov、I. V. Martynov

  DOI：10.1007/bf00953447

  日期：1988.10