(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
• 化学式: C₂₀H₁₃ClN₂O₃
• 分子量: 364.788
• InChiKey: QJYKPOJJPVDOLT-SXGWCWSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲基-2-苯基-1,2-二氢吡唑-3-酮 、 6-氯-3-甲酰基色酮 在 aluminum oxide 作用下， 反应 0.05h， 以87%的产率得到(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
  参考文献：
  名称：

  MICROWAVE INDUCED SYNTHESIS OF 3-METHYL-4-[(CHROMON-3-YL)- METHYLENE]-1-PHENYL PYRAZOLIN- 5-(4H)-ONES WITH ALUMINA SUPPORT AND IN SOLVENT FREE CONDITIONS

  摘要：

  4-Oxo-(4H)-1-benzopyran-3-carboxaldehydes are condensed with 3-methyl-1-phenyl pyrazolin-5-(4H)-one under microwave activation to afford different 3-methyl-4-[(chromon-3-yl)methylene]-1-phenyl pyrazolin-5-(4H)-ones (1-13) with alumina support and in solvent free conditions. The structures of the synthesized compounds have been established on the basis of their spectral data.

  DOI：

  10.1081/scc-120002395

文献信息

• Synthesis of 3-methyl-4-[(chromon-3-yl)methylene]-1-phenylpyrazolin-5-(4H)-ones catalysed by MCM-41-SO3H
  作者：Rajkumar V. Hangarge、Shafi A. Siddiqui、Sudhir R. Shengule、Murlidhar S. Shingare

  DOI：10.1070/mc2002v012n05abeh001611

  日期：2002.1

  The condensation of 4-oxo-4H-1-benzopyran-3-carbaldehydes with 3-methyl-1-phenylpyrazolin-5-(4H)-ones in dioxane to afford 3-methyl-4-[(chromon-3-yl)methylene]-1-phenylpyrazolin-5-(4H)-ones was performed using MCM-41-SO3H as a catalyst.