2-(4-(2-(4-bromophenyl)hydrazineylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetohydrazide | 1219030-63-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-(2-(4-bromophenyl)hydrazineylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetohydrazide
• CAS: 1219030-63-3
• 化学式: C₁₂H₁₃BrN₆O₂
• 分子量: 353.178
• InChiKey: XYSPERBCXASMGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.43
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  112.18
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(4-(2-(4-bromophenyl)hydrazineylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetohydrazide 、 靛红 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到{4-[(4-bromophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl}acetic acid (2-oxo-1,2-dihydroindol-3-ylidene)hydrazide
  参考文献：
  名称：

  Synthesis of novel mannich bases containing Pyrazolones and indole systems

  摘要：

  Novel mannich bases 7 a-h were synthesized the condensation reaction between 3-Methyl-5-oxo-4-(4'-phenyl hydrazono)-4,5-dihydro-pyrazol-1-yl]acetic acid hydrazide 4 With Isatin yielded the corresponding [3-Methyl-5-oxo-4-(4'-substituted aryl hydrazono)-4,5-dihydro-pyrazol-1-yl]-acetic acid(2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide 6, this was subjected to mannich reaction with cyclic secondary amines in the presence of formaldehyde in DMF to give corresponding hydrazide 7 in excellent yields. The structures of these newly synthesized compounds were characterized by (1)H-NMR, Mass, IR and elemental analysis.

  DOI：

  10.1515/hc.2009.15.6.443
• 作为产物：
  描述：

  ethyl 2-(4-(2-(4-bromophenyl)hydrazineylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-(4-(2-(4-bromophenyl)hydrazineylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetohydrazide
  参考文献：
  名称：

  Synthesis of novel mannich bases containing Pyrazolones and indole systems

  摘要：

  Novel mannich bases 7 a-h were synthesized the condensation reaction between 3-Methyl-5-oxo-4-(4'-phenyl hydrazono)-4,5-dihydro-pyrazol-1-yl]acetic acid hydrazide 4 With Isatin yielded the corresponding [3-Methyl-5-oxo-4-(4'-substituted aryl hydrazono)-4,5-dihydro-pyrazol-1-yl]-acetic acid(2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide 6, this was subjected to mannich reaction with cyclic secondary amines in the presence of formaldehyde in DMF to give corresponding hydrazide 7 in excellent yields. The structures of these newly synthesized compounds were characterized by (1)H-NMR, Mass, IR and elemental analysis.

  DOI：

  10.1515/hc.2009.15.6.443