N,1,3-trihydroxypropan-2-imine oxide | 97813-58-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,1,3-trihydroxypropan-2-imine oxide
• CAS: 97813-58-6
• 化学式: C₃H₇NO₄
• 分子量: 121.093
• InChiKey: TZJUYQQEZZOVJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  89.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,1,3-trihydroxypropan-2-imine oxide 生成 2-硝基-1,3-丙烷二醇
  参考文献：
  名称：

  EREMENKO, L. T.;ORESHKOV, G. V.;LAGODZINSKAYA, G. V.;ZABRODIN, V. A., IZV. AN CCCP. CEP. XIM.,(1990) N, S. 634-636

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 硝基甲烷 在 potassium fluoride 、 四丁基溴化铵 作用下， 以 异丙醇 为溶剂， 反应 72.0h， 以29.0 g的产率得到N,1,3-trihydroxypropan-2-imine oxide
  参考文献：
  名称：

  A novel intramolecularly stabilized nitronic acid, 2-aci-nitro-1,3-propanediol

  摘要：

  DOI：

  10.1016/s0040-4039(00)99061-0

文献信息

• A novel intramolecularly stabilized nitronic acid, 2-aci-nitro-1,3-propanediol
  作者：Lee W. Herman、John W. ApSimon

  DOI：10.1016/s0040-4039(00)99061-0

  日期：1985.1
• EREMENKO, L. T.;ORESHKOV, G. V.;LAGODZINSKAYA, G. V.;ZABRODIN, V. A., IZV. AN CCCP. CEP. XIM.,(1990) N, S. 634-636
  作者：EREMENKO, L. T.、ORESHKOV, G. V.、LAGODZINSKAYA, G. V.、ZABRODIN, V. A.

  DOI：——

  日期：——
• HERMAN, L. W.;APSIMON, J. W., TETRAHEDRON LETT., 1985, 26, N 11, 1423-1424
  作者：HERMAN, L. W.、APSIMON, J. W.

  DOI：——

  日期：——
• Cross-linking of starch with bifunctional precursors of nitroalkenes
  作者：A Heeres、Henk A van Doren、Kees F Gotlieb、Ido P Bleeker、R.M Kellogg

  DOI：10.1016/s0008-6215(98)00171-2

  日期：1998.8

  Granular starch was cross-linked with 1,3-di-O-acetyl-2-nitro-1,3-propanediol (1), 1,3-di-O-pivaloyl-2-nitro-1,3-propanediol (2), 2-nitro-3-O-pivaloyl-1-propene-3-ol (3), 1,3-di-O-acetyl-aci-2-nitro-1,3-propanediol (4), 1,3-di-O-pivaloyl-aci-2-nitro-1,3-propanediol (5) and 1,6-di-O-acetyl-2,5-dinitro-1,6-hexanediol (6). The bifunctional precursors for the nitro-alkenes 1, 2, 3, and 4 were readily synthesized in high yields from nitromethane, paraformaldehyde and acetic anhydride (1, 3) or pivaloyl chloride (2, 4), respectively. The reaction rate for the cross-linking was very high, and for 1 and 3, the reaction reached completion within 1 h (at room temperature). The swelling capacities of the products obtained when starch was cross-linked with precursors for the nitroalkenes 1-4 and 6 were lower in comparison to epichlorohydrin cross-linked starch. These results indicate a high reaction efficiency at low degrees of substitution. Cross-linked 2-nitroalkyl starch ethers were synthesized in a one-pot synthesis by addition of 1 or 3 and 2-nitroalkyl acetates to granular suspensions of starch. (C) 1998 Elsevier Science Ltd. All rights reserved.