Schiff base of 4-acetyl-1-phenyl-3-methyl-2-pyrazolin-5-one with ethylene diamine | 210769-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Schiff base of 4-acetyl-1-phenyl-3-methyl-2-pyrazolin-5-one with ethylene diamine
• 英文别名: N,N'-ethylenebis(1-phenyl-3-methyl-4-acetylpyrazoloneimine)；H2APMP-en
• CAS: 210769-44-1
• 化学式: C₂₆H₂₈N₆O₂
• 分子量: 456.547
• InChiKey: CHAKYQYDGJLMSL-UHFFFAOYSA-N

物化性质

• 沸点：
  622.4±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  100.82
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  chromium(III) nitrate nonahydrate 、 Schiff base of 4-acetyl-1-phenyl-3-methyl-2-pyrazolin-5-one with ethylene diamine 以 乙醇 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Raj, D. S.; Shah, P. C.; Shah, J. R., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1992, vol. 22, p. 321 - 336

  摘要：

  DOI：
• 作为产物：
  描述：

  乙二胺 、 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one 以 乙醇 为溶剂， 反应 1.0h， 以68%的产率得到Schiff base of 4-acetyl-1-phenyl-3-methyl-2-pyrazolin-5-one with ethylene diamine
  参考文献：
  名称：

  Uzoukwu, B. A.; Gloe, K.; Duddeck, H., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 11, p. 1180 - 1183

  摘要：

  DOI：

文献信息

• Patel, Ismail A.; Patel, Pankaj; Goldsmith, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2003, vol. 42, # 10, p. 2487 - 2492
  作者：Patel, Ismail A.、Patel, Pankaj、Goldsmith、Thaker

  DOI：——

  日期：——
• Synthesis and Physico‐chemical Studies on Nickel(II) Chelates of Some Tetradentate Bisketimino Derivatives of 4‐Acyl‐2‐pyrazolin‐5‐ones
  作者：D. S. Raj、N. J. Parmar、J. R. Shah

  DOI：10.1081/sim-120035951

  日期：2004.4.1

  Eight new tetradentate bisketimino derivatives of 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one (APMP) and 4-acetyl-3-methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one (ACMP) with ethylenediamine (en), o-, m-, and p-phenylenediamines were prepared. The Ni(II) chelates of these Schiff base ligands were prepared and characterized on the basis of elemental analyses, infrared, conductivity measurements, magnetic susceptibilities, vapour pressure osmometry (VPO), TGA, and electronic spectral studies. The studies show that the central metal ion is coordinated to two imino nitrogens and two oxygens donor sites of the ligands. Probable structures have been suggested for these chelates based on the available evidence.