N,N'-bis(2-hydroxyethyl)-N,N'-dinitrooxamide | 62209-60-3

• 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: N,N'-bis(2-hydroxyethyl)-N,N'-dinitrooxamide
• 英文别名: N,N'-bis(2-nitrooxyethyl)-N,N'-dinitrooxalamide；Dinitro-di-(β-hydroxyethyl)-oxamid-dinitrat；N,N'-dinitro-N,N'-bis-(2-nitryloxy-ethyl)-oxalamide；N,N'-Dinitro-N,N'-bis-(2-nitryloxy-aethyl)-oxalamid；N.N'-Dinitro-N.N'-bis-(2-nitryloxy-aethyl)-oxamid；NENO；Oxamide, N,N'-bis(2-hydroxyethyl)-N,N'-dinitro-, dinitrate；2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]-2-oxoacetyl]amino]ethyl nitrate
• CAS: 62209-60-3
• 化学式: C₆H₈N₆O₁₂
• 分子量: 356.163
• InChiKey: ISWFDIUPNLGKML-UHFFFAOYSA-N

物化性质

• 熔点：
  91-92 °C
• 沸点：
  550.9±60.0 °C(Predicted)
• 密度：
  1.779±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  242
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N,N'-二(2-羟乙基)草酰胺 在 五氧化二氮 作用下， 以 二氧化碳 为溶剂， 5.0 ℃ 、8.0 MPa 条件下， 反应 2.0h， 以90%的产率得到N,N'-bis(2-hydroxyethyl)-N,N'-dinitrooxamide
  参考文献：
  名称：

  Nitration of carbonic, sulfuric and oxalic acid-derived amides in liquid carbon dioxide

  摘要：

  N-Nitro- and N,N'-dinitroamides of carbonic, sulfuric and oxalic acids have been prepared in 76-99% yield by the nitration of the corresponding amides with dinitrogen pentoxide in liquid carbon dioxide.

  DOI：

  10.1016/j.mencom.2013.03.008

文献信息

• Desseigne, Memorial des Poudres, 1948, vol. 30, p. 111,120
  作者：Desseigne

  DOI：——

  日期：——
• Positive electron impact and chemical ionization mass spectra of some nitramine nitrates
  作者：J. A. Rowley

  DOI：10.1002/oms.1210241105

  日期：1989.11

  AbstractThe positive electron impact (EI) and isobutane chemical ionization (CI) mass spectra of six nitramine nitrates were studied with the aid of some accurate mass measurements. In the EI spectra, β fission relative to both the nitramine and nitrate ester is important. In the CI spectra a major ion occurs at [MH – 45]+ and was found to be mainly due to [M + 2H  NO2]+. All of the compounds except N‐(2 hydroxyethyl)‐N‐(2′,4′,6′‐trinitrophenyl)nitramine nitrate gave an [MH]+ ion. The [MH – 45]+ ion in the isobutane CI mass spectra of tetryl is also due to [M + 2H  NO2]+.
• Stuart; Wright, Canadian Journal of Research, Section B: Chemical Sciences, 1948, vol. 26, p. 403,409,412
  作者：Stuart、Wright

  DOI：——

  日期：——
• Campbell; Kushnarov, Canadian Journal of Research, Section B: Chemical Sciences, 1947, vol. 25, p. 216,224
  作者：Campbell、Kushnarov

  DOI：——

  日期：——
• Nitration of carbonic, sulfuric and oxalic acid-derived amides in liquid carbon dioxide
  作者：Ilya V. Kuchurov、Igor V. Fomenkov、Sergei G. Zlotin、Vladimir A. Tartakovsky

  DOI：10.1016/j.mencom.2013.03.008

  日期：2013.3

  N-Nitro- and N,N'-dinitroamides of carbonic, sulfuric and oxalic acids have been prepared in 76-99% yield by the nitration of the corresponding amides with dinitrogen pentoxide in liquid carbon dioxide.