diethyl 2-chloro-2-nitropentanedioate | 164795-37-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl 2-chloro-2-nitropentanedioate
• CAS: 164795-37-3
• 化学式: C₉H₁₄ClNO₆
• 分子量: 267.666
• InChiKey: CBSMYWMFXZUPKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  95.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diethyl 2-chloro-2-nitropentanedioate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以59%的产率得到谷氨酸二乙酯盐酸盐
  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
• 作为产物：
  描述：

  ammonium 1-chloro-2-ethoxy-1-nitro-2-oxoethan-1-ide 、 丙烯酸乙酯 在 乙醇 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 24.0h， 以77%的产率得到diethyl 2-chloro-2-nitropentanedioate
  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