3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-5-methyl-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione | 1174889-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-5-methyl-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione
• 英文别名: 3-[3-(4-Ethoxyphenyl)-1-phenylpyrazol-4-yl]-5-methyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
• CAS: 1174889-28-1
• 化学式: C₂₃H₂₀N₄O₄
• 分子量: 416.436
• InChiKey: OJHXMTTXBGABCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-甲基马来酰亚胺 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以81%的产率得到3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-5-methyl-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione
  参考文献：
  名称：

  Synthesis and antinociceptive activity of pyrazolyl isoxazolines and pyrazolyl isoxazoles

  摘要：

  Pyrazolyl isoxazolines and isoxazoles were synthesised in moderate to good yields using 1,3-dipolar cycloaddition of pyrazole derived nitrile oxide with various dipolarophiles such as N-substituted maleimide, diethylacetylene dicarboxylate and phenylacetylene. The synthesized compounds were evaluated for antinociceptive activities. The 3-pyrazolyl-4,5-dicarbethoxy isoxazoles (9a-c) exhibited the maximum antinociceptive activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.055

文献信息

• Synthesis and antinociceptive activity of pyrazolyl isoxazolines and pyrazolyl isoxazoles
  作者：K. Karthikeyan、T. Veenus Seelan、K.G. Lalitha、P.T. Perumal

  DOI：10.1016/j.bmcl.2009.05.055

  日期：2009.7

  Pyrazolyl isoxazolines and isoxazoles were synthesised in moderate to good yields using 1,3-dipolar cycloaddition of pyrazole derived nitrile oxide with various dipolarophiles such as N-substituted maleimide, diethylacetylene dicarboxylate and phenylacetylene. The synthesized compounds were evaluated for antinociceptive activities. The 3-pyrazolyl-4,5-dicarbethoxy isoxazoles (9a-c) exhibited the maximum antinociceptive activity. (C) 2009 Elsevier Ltd. All rights reserved.