methyl pyruvate semicarbazone | 98071-51-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: methyl pyruvate semicarbazone
• 英文别名: 2-semicarbazono-propionic acid methyl ester；2-Semicarbazono-propionsaeure-methylester；Methyl 2-(2-carbamoylhydrazinylidene)propanoate；methyl 2-(carbamoylhydrazinylidene)propanoate
• CAS: 98071-51-3
• 化学式: C₅H₉N₃O₃
• 分子量: 159.145
• InChiKey: NDYVECFGOZSICG-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  丙酮酸甲酯 、 盐酸氨基脲 在 sodium hydroxide 作用下， 以 水 为溶剂， 以80%的产率得到methyl pyruvate semicarbazone
  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

文献信息

• First cobalt complexes with methyl pyruvate semi/thiosemicarbazone - synthesis, physico-chemical and structural characterization
  作者：Marko Rodic、Vukoslava Miskov-Pajic、Vukadin Leovac、Mirjana Radanovic、Ljiljana Vojinovic-Jesic、Svetlana Belosevic、Zeljko Jacimovic、Vukosava Zivkovic-Radovanovic

  DOI：10.2298/jsc191219010r

  日期：——

  reaction of acetone solutions of CoX2∙ n H2O (X = Cl, Br) with methyl pyruvate semi/thiosemicarbazone (Hmps, Hmpt) the first Co(II) com­plexes with these ligands, i.e. , [Co(Hmps)(H2O)X2] (X = Cl ( 1 ), Br ( 2 )), [Co(Hmpt)2][CoCl4]∙2H2О ( 3 ) and [Co(Hmpt)2]Br2∙Me2CO ( 4 ) were obtained. Complexes 1 and 2 represent the first examples of metal complexes of Hmps. All the obtained compounds were characterized

  在CoX2∙n H2O（X = Cl，Br）的丙酮溶液与丙酮酸半/硫代半碳a酮（Hmps，Hmpt）的反应中，第一个Co（II）与这些配体的配合物，即[Co（Hmps）（ ） X 2]（X ＝ Cl（1），Br（2）），获得[Co（Hmpt）2] [CoCl 4]·2H 2О（3）和[Co（Hmpt）2] Br 2·Me 2 CO（4）。配合物1和2代表Hmps金属配合物的第一个例子。所有获得的化合物都通过元素分析，电导，磁测量和红外光谱进行了表征，对于配合物2-4，还进行了单晶X射线衍射分析。复合物1和2的有效磁矩接近上限（5μB），复合物3和4的有效磁矩接近下限（4.4μB），因此是高旋转Co（II）的特征）复合体。结构分析表明，两个配体都通过酯氧，亚胺氮和脲基的氧原子（Hmps）或硫脲基的硫原子（Hmpt）以三齿形式配位为中性形式。中心金属原子位于变形的八面体配位环境中。配合物2