4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-3-one | 1198352-77-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-3-one
• CAS: 1198352-77-0
• 化学式: C₂₂H₁₇BrN₄O₅
• 分子量: 497.305
• InChiKey: YNNWRRIHVGNVFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  113.57
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  ethyl-α-(4-bromo phenylazo)acetoacetate 、 (4-甲基-2-氧代-2H-色烯-7-氧基)-乙酸肼 在 溶剂黄146 作用下， 反应 4.0h， 以62%的产率得到4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-3-one
  参考文献：
  名称：

  Antioxidant and antibacterial studies of arylazopyrazoles and arylhydrazonopyrazolones containing coumarin moiety

  摘要：

  A series of novel 1-(4-methylcoumarinyl-7-oxyacetyl)-3,5-dimethyl-4(arylazo)pyrazoles and 1-(4-methylcoumarinyl-7-oxyacetyl)-3-methyl-4-(substituted phenyl) hydrazono-2-pyrazolin-5-ones were synthesised and evaluated for antibacterial and antioxidant activities. Compounds 3b, 3g, 5b, 5d and 5g showed good antibacterial activity and compound 5e was found to be the most active antioxidant in the series, and thus represent a new class of promising lead compounds. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.07.004

文献信息

• Antioxidant and antibacterial studies of arylazopyrazoles and arylhydrazonopyrazolones containing coumarin moiety
  作者：P. Manojkumar、T.K. Ravi、S. Gopalakrishnan

  DOI：10.1016/j.ejmech.2009.07.004

  日期：2009.11

  A series of novel 1-(4-methylcoumarinyl-7-oxyacetyl)-3,5-dimethyl-4(arylazo)pyrazoles and 1-(4-methylcoumarinyl-7-oxyacetyl)-3-methyl-4-(substituted phenyl) hydrazono-2-pyrazolin-5-ones were synthesised and evaluated for antibacterial and antioxidant activities. Compounds 3b, 3g, 5b, 5d and 5g showed good antibacterial activity and compound 5e was found to be the most active antioxidant in the series, and thus represent a new class of promising lead compounds. (C) 2009 Elsevier Masson SAS. All rights reserved.