methyl 6-benzoyl-7-(4-methoxyphenylcarbamoyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate | 1213224-55-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 6-benzoyl-7-(4-methoxyphenylcarbamoyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
• 英文别名: Methyl 6-benzoyl-7-[(4-methoxyphenyl)carbamoyl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
• CAS: 1213224-55-5
• 化学式: C₃₀H₂₄N₄O₅
• 分子量: 520.544
• InChiKey: WJPITSNRRDASPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylate 、 5-甲基-4-苯基-2H-吡唑-3-胺 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以75%的产率得到methyl 6-benzoyl-7-(4-methoxyphenylcarbamoyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
  参考文献：
  名称：

  Recyclization of 1H-Pyrrole-2,3-diones into pyrazolo-[1,5-a]pyrimidines by the action of aminopyrazole

  摘要：

  DOI：

  10.1134/s1070428009100273

文献信息

• Five-membered 2,3-dioxo heterocycles: LXXX. Recyclization of 1H-pyrrole-2,3-diones into pyrazolo[1,5-a]pyrimidines by the action of pyrazolamine. Crystalline and molecular structure of substituted pyrazolo[1,5-a]pyrimidine
  作者：E. S. Denislamova、N. V. Bubnov、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s107042801109017x

  日期：2011.9

  Methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 3-methyl-4-phenyl-1H-pyrazol-5-amine to give methyl 7-arylcarbamoyl-6-aroyl-2-methyl-3-phenylpyrazolo[1,5-a]-pyrimidine-5-carboxylates. The molecular and crystalline structures of methyl 6-benzoyl-7-(4-chlorophenylcarbamoyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate were studied by X-ray analysis.