1-丙醇,3-肼基-2,2-二硝基- | 138555-22-3

• 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
• 中文名称: 1-丙醇,3-肼基-2,2-二硝基-
• 英文名称: 3-hydrazino-2,2-dinitro-1-propanol
• 英文别名: 3-Hydrazinyl-2,2-dinitropropan-1-ol
• CAS: 138555-22-3
• 化学式: C₃H₈N₄O₅
• 分子量: 180.12
• InChiKey: ZJNYLRPFDSEANA-UHFFFAOYSA-N

物化性质

• 熔点：
  >175 °C (decomp)
• 沸点：
  410.0±45.0 °C(Predicted)
• 密度：
  1.584±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-丙醇,3-肼基-2,2-二硝基- 在 溶剂黄146 、 sodium nitrite 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以10%的产率得到bis(4-nitropyrazol-1-yl)methane
  参考文献：
  名称：

  gem-Dinitro compounds in organic synthesis. 2. Synthesis of 4-nitropyrazoles from dinitromethane and its derivatives

  摘要：

  A series of 4-nitropyrazoles was synthesized from dinitromethane and other gemdinitro derivatives. New cyclization reactions of aliphatic azines with dinitromethane and an intramolecular cyclization of dinitroacetazines have been discovered, with which 4-nitropyrazoles substituted at the 3- and 5-positions of the pyrazole ring can be obtained in one stage.

  DOI：

  10.1007/bf00959723
• 作为产物：
  描述：

  聚合甲醛 、 (2,2-dinitroethyl)hydrazine 以 水 为溶剂， 反应 2.0h， 以56%的产率得到1-丙醇,3-肼基-2,2-二硝基-
  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

文献信息

• LAJXTER, A. L.;CHERKASOVA, T. I.;MELNIKOVA, L. G.;UGRAK, B. I.;FAJNZILBER+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1849-1855
  作者：LAJXTER, A. L.、CHERKASOVA, T. I.、MELNIKOVA, L. G.、UGRAK, B. I.、FAJNZILBER+

  DOI：——

  日期：——
• gem-Dinitro compounds in organic synthesis. 2. Synthesis of 4-nitropyrazoles from dinitromethane and its derivatives
  作者：A. L. Laikhter、T. I. Cherkasova、V. V. Semenov

  DOI：10.1007/bf00959723

  日期：1991.12

  A series of 4-nitropyrazoles was synthesized from dinitromethane and other gemdinitro derivatives. New cyclization reactions of aliphatic azines with dinitromethane and an intramolecular cyclization of dinitroacetazines have been discovered, with which 4-nitropyrazoles substituted at the 3- and 5-positions of the pyrazole ring can be obtained in one stage.
• 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.