[(1-Hydrazinyl-1-oxopropan-2-ylidene)amino]urea | 137198-25-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(1-Hydrazinyl-1-oxopropan-2-ylidene)amino]urea
• CAS: 137198-25-5
• 化学式: C₄H₉N₅O₂
• 分子量: 159.148
• InChiKey: RSGBJBZGMSNKHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-二乙酰基吡啶 、 [(1-Hydrazinyl-1-oxopropan-2-ylidene)amino]urea 以 乙醇 、 水 为溶剂， 反应 0.5h， 以85%的产率得到2,6-diacetylpyridine bis{2-(semicarbazono)(propionylhydrazone)}
  参考文献：
  名称：

  Construction of a new versatile hydrazonic ligand and its chemical and structural behaviour towards metal ions

  摘要：

  The synthesis of a new hydrazonic ligand, 2,6-diacetylpyridine bis[2-(semicarbazono)propionyl-hydrazone] (H4L), is reported together with the synthesis, X-ray structure analysis and the IR spectroscopic characterisation of the complexes [{Ni2(H2L)(OH2)Cl}2Cl2].2dmf.5H2O 1 (dmf = dimethyl-formamide), [Co(H4L)(OH2)2][NO3]2.2H2O 2 and [Zn(H3L')(OH2)2][ClO4]2.1.5H2O 3 [H3L' = 2,6-diacetylpyridine semicarbazone 2-(semicarbazono)propionylhydrazone]. The interest of these structures pertains mainly to the cations. In 1 a tetranuclear complex is present with two non-equivalent nickel atoms, both of which exhibit distorted-octahedral co-ordination, and with the hydrazone acting as enneadentate donor. The structures of 2 and 3 consist of monomeric units in which the metal atom has a pentagonal-bipyramidal environment with two axial H2O molecules and the hydrazone ligand forming the basal plane.

  DOI：

  10.1039/dt9910002113
• 作为产物：
  描述：

  methyl pyruvate semicarbazone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以65%的产率得到[(1-Hydrazinyl-1-oxopropan-2-ylidene)amino]urea
  参考文献：
  名称：

  Construction of a new versatile hydrazonic ligand and its chemical and structural behaviour towards metal ions

  摘要：

  The synthesis of a new hydrazonic ligand, 2,6-diacetylpyridine bis[2-(semicarbazono)propionyl-hydrazone] (H4L), is reported together with the synthesis, X-ray structure analysis and the IR spectroscopic characterisation of the complexes [{Ni2(H2L)(OH2)Cl}2Cl2].2dmf.5H2O 1 (dmf = dimethyl-formamide), [Co(H4L)(OH2)2][NO3]2.2H2O 2 and [Zn(H3L')(OH2)2][ClO4]2.1.5H2O 3 [H3L' = 2,6-diacetylpyridine semicarbazone 2-(semicarbazono)propionylhydrazone]. The interest of these structures pertains mainly to the cations. In 1 a tetranuclear complex is present with two non-equivalent nickel atoms, both of which exhibit distorted-octahedral co-ordination, and with the hydrazone acting as enneadentate donor. The structures of 2 and 3 consist of monomeric units in which the metal atom has a pentagonal-bipyramidal environment with two axial H2O molecules and the hydrazone ligand forming the basal plane.

  DOI：

  10.1039/dt9910002113