3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one | 7026-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one
• 英文别名: 3-acetyl-4-hydroxy-6-methyl-5-phenylazo-pyran-2-one；3-Acetyl-4-hydroxy-6-methyl-5-phenylazo-pyran-2-on；3-Acetyl-4-hydroxy-6-methyl-5-phenyldiazenylpyran-2-one；3-acetyl-4-hydroxy-6-methyl-5-phenyldiazenylpyran-2-one
• CAS: 7026-03-1
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: WDBNFELNWQPVNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  88.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one 、 zinc(II) chloride 以 甲醇 为溶剂， 反应 1.0h， 以65%的产率得到2C₁₄H₁₁N₂O₄^(1-)*Zn⁽²⁺⁾
  参考文献：
  名称：

  Spectral and thermal characterization of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one and its metal complexes

  摘要：

  Five chelates of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one (phenylazo dehydroacetic acid) with Cr(III), Fe(III), Ni(II), Cu(II) and Zn(II) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, electronic, H-1 NMR, FAB mass, IR-spectral and thermal (TG/DTG) analytical techniques. In the present work it has been found that oxygen of the deprotonated -OH group and one of the azo-nitrogens of the ligand take part in coordination. The Cr(III), Fe(III) and Ni(II) complexes were found to be having octahedral geometry and the Cu(II) and Zn(II) tetrahedral. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.04.046
• 作为产物：
  描述：

  去氢乙酸 、 alkaline earth salt of/the/ methylsulfuric acid 反应 0.5h， 以60%的产率得到3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one
  参考文献：
  名称：

  Spectral and thermal characterization of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one and its metal complexes

  摘要：

  Five chelates of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one (phenylazo dehydroacetic acid) with Cr(III), Fe(III), Ni(II), Cu(II) and Zn(II) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, electronic, H-1 NMR, FAB mass, IR-spectral and thermal (TG/DTG) analytical techniques. In the present work it has been found that oxygen of the deprotonated -OH group and one of the azo-nitrogens of the ligand take part in coordination. The Cr(III), Fe(III) and Ni(II) complexes were found to be having octahedral geometry and the Cu(II) and Zn(II) tetrahedral. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.04.046

文献信息

• Spectral and thermal characterization of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one and its metal complexes
  作者：Susannah Seth、K.K. Aravindakshan

  DOI：10.1016/j.saa.2013.04.046

  日期：2013.8

  Five chelates of 3-acetyl-5-azophenyl-4-hydroxy-6-methyl-pyran-2-one (phenylazo dehydroacetic acid) with Cr(III), Fe(III), Ni(II), Cu(II) and Zn(II) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, electronic, H-1 NMR, FAB mass, IR-spectral and thermal (TG/DTG) analytical techniques. In the present work it has been found that oxygen of the deprotonated -OH group and one of the azo-nitrogens of the ligand take part in coordination. The Cr(III), Fe(III) and Ni(II) complexes were found to be having octahedral geometry and the Cu(II) and Zn(II) tetrahedral. (c) 2013 Elsevier B.V. All rights reserved.