2,2-dinitro-propionic acid ethyl ester | 62116-13-6

• 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: 2,2-dinitro-propionic acid ethyl ester
• 英文别名: 2,2-Dinitro-propionsaeure-aethylester；Ethyl 2,2-dinitropropanoate；ethyl 2,2-dinitropropanoate
• CAS: 62116-13-6
• 化学式: C₅H₈N₂O₆
• 分子量: 192.128
• InChiKey: ACDLVBJKQFAJIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2-dinitro-propionic acid ethyl ester 在 potassium acetate 作用下， 以 甲醇 为溶剂， 生成 1,1-dinitroethane potassium salt
  参考文献：
  名称：

  gem-Dinitro compounds in organic synthesis. 1. Synthesis of functionally substituted polynitro compounds with the use of the universal synthon, ethyl dinitroacetate

  摘要：

  Ethyl nitroacetate (I) was used as a synthon in the preparation of dinitromethane, dinitroacetic acid, 2,2-dinitroethanol, fluorodinitromethane, 1,1,3,3-tetranitropropane, and some condensation products of Henry and Mannich reactions. A number of dinitroacetaldehyde derivatives were also prepared: its potassium salt, oxime, and hydrazone, dinitroacetaldehyde azine; and mixed azines with other acetaldehydes.

  DOI：

  10.1007/bf01172267
• 作为产物：
  描述：

  3-乙氧基-2-甲基-3-氧代丙酸 在 水 、 硝酸 作用下， 生成 2,2-dinitro-propionic acid ethyl ester
  参考文献：
  名称：

  gem-Dinitro Esters. II. Preparation and Properties of α,α-Dinitro Esters¹

  摘要：

  DOI：

  10.1021/jo01103a027

文献信息

• Alkylation of alkali metal salts of aliphatic polynitro compounds ? A general method for preparing different types of polynitro derivatives
  作者：S. A. Shevelev、V. I. Erashko、A. A. Fainzil'berg

  DOI：10.1007/bf00920895

  日期：1976.12
• gem-Dinitro Esters. II. Preparation and Properties of α,α-Dinitro Esters¹
  作者：L. W. KISSINGER、H. E. UNGNADE

  DOI：10.1021/jo01103a027

  日期：1958.9
• gem-Dinitro compounds in organic synthesis. 1. Synthesis of functionally substituted polynitro compounds with the use of the universal synthon, ethyl dinitroacetate
  作者：A. L. Laikhter、T. I. Cherkasova、L. G. Mel'nikova、B. I. Ugrak、A. A. Fainzil'berg、V. V. Semenov

  DOI：10.1007/bf01172267

  日期：1991.8

  Ethyl nitroacetate (I) was used as a synthon in the preparation of dinitromethane, dinitroacetic acid, 2,2-dinitroethanol, fluorodinitromethane, 1,1,3,3-tetranitropropane, and some condensation products of Henry and Mannich reactions. A number of dinitroacetaldehyde derivatives were also prepared: its potassium salt, oxime, and hydrazone, dinitroacetaldehyde azine; and mixed azines with other acetaldehydes.