4-[(2-hydroxy-5-methylphenyl)-(5-hydroxy-3-methyl-2H-pyrazol-4-yl)methyl]-2H-phthalazin-1-one | 1437802-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[(2-hydroxy-5-methylphenyl)-(5-hydroxy-3-methyl-2H-pyrazol-4-yl)methyl]-2H-phthalazin-1-one
• 英文别名: 4-[(2-hydroxy-5-methylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2H-phthalazin-1-one
• CAS: 1437802-88-4
• 化学式: C₂₀H₁₈N₄O₃
• 分子量: 362.388
• InChiKey: LBLCSIJLEUMBAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  103
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-hydroxy-2-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-2H-indene-1,3-dione 在 硫酸 、 一水合肼 、 溶剂黄146 作用下， 反应 28.0h， 生成 4-[(2-hydroxy-5-methylphenyl)-(5-hydroxy-3-methyl-2H-pyrazol-4-yl)methyl]-2H-phthalazin-1-one
  参考文献：
  名称：

  Synthesis of biologically important phthalazinones, 2,3-benzoxazin-1-ones and isoindolinones from ninhydrin and their antimicrobial activity

  摘要：

  Biologically important phthalazinones, 2,3-benzoxazin-1-ones and isoindolinones have been synthesized from easily available ninhydrin in good yields. The appropriate ninhydrin adducts 2,2,-diaryl-1,3-indanediones and 3-(diarylmethylene)isobenzofuranones were treated with various nucleophiles like hydrazine hydrate, hydroxylamine, and phenylhydrazin to accomplish the heterocycles. The synthesized compounds were assayed for their antibacterial activity and showed significant activity against both the selected Gram positive and Gram negative bacteria, suggesting possible scope of using as antimicrobials. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.015

文献信息

• Synthesis of biologically important phthalazinones, 2,3-benzoxazin-1-ones and isoindolinones from ninhydrin and their antimicrobial activity
  作者：Sudipta Pathak、Kamalesh Debnath、Sk Tofajjen Hossain、Samir Kumar Mukherjee、Animesh Pramanik

  DOI：10.1016/j.tetlet.2013.04.015

  日期：2013.6

  Biologically important phthalazinones, 2,3-benzoxazin-1-ones and isoindolinones have been synthesized from easily available ninhydrin in good yields. The appropriate ninhydrin adducts 2,2,-diaryl-1,3-indanediones and 3-(diarylmethylene)isobenzofuranones were treated with various nucleophiles like hydrazine hydrate, hydroxylamine, and phenylhydrazin to accomplish the heterocycles. The synthesized compounds were assayed for their antibacterial activity and showed significant activity against both the selected Gram positive and Gram negative bacteria, suggesting possible scope of using as antimicrobials. (C) 2013 Elsevier Ltd. All rights reserved.