4-palmitoyl-3-methyl-1-phenylpyrazolone-5 | 138306-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-palmitoyl-3-methyl-1-phenylpyrazolone-5
• 英文别名: 1-phenyl-3-methyl-4-palmitoyl-pyrazolone
• CAS: 138306-30-6
• 化学式: C₂₆H₄₀N₂O₂
• 分子量: 412.616
• InChiKey: JJYJKCREDKKWJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  30.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 4-palmitoyl-3-methyl-1-phenylpyrazolone-5 以 乙醇 、 水 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Uzoukwu, Bieluonwu Augustus, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1990, vol. 20, p. 1071 - 1084

  摘要：

  DOI：

文献信息

• Metal-Nitrogen Bonding in 1-Phenyl-3-Methyl-4-Acylpyrazolone-5 Complexes of Lead(II): Synthesis and Spectroscopic Studies
  作者：Bieluonwu Augustus Uzoukwu、Patricia Ugboaku Adiukwu

  DOI：10.1080/00945719708000145

  日期：1997.2

  Synthesis, electronic, infrared and NMR spectral studies were carried out on a series of 4-acyl-3-methyl-1-phenylpyrazolone-5 complexes of lead(II). They showed that both Pb-O and Pb-N bonds were present in the complexes. Subsequently, the complexes were characterized as lead(II) bis-chelates with octahedral structures through Pb-N bond linkages. The frequency of the Pb-O vibrations were observed to decrease with increase in length of 4-acyl substituent.