4-(1-phenyl-3-methyl-3-oxopyrazol-4-yl)-1,4-dihydroquinazoline trifluoroacetate | 1163281-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1-phenyl-3-methyl-3-oxopyrazol-4-yl)-1,4-dihydroquinazoline trifluoroacetate
• CAS: 1163281-20-6
• 化学式: C₂HF₃O₂*C₁₈H₁₆N₄O
• 分子量: 418.375
• InChiKey: WYADSWDFWIDURB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  99.48
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  喹唑啉 、 依达拉奉 、 三氟乙酸 以 正丁醇 为溶剂， 反应 2.0h， 以40%的产率得到4-(1-phenyl-3-methyl-3-oxopyrazol-4-yl)-1,4-dihydroquinazoline trifluoroacetate
  参考文献：
  名称：

  Specific features of the reactions of quinazoline and its 4-hydroxy and 4-chloro substituted derivatives with C-nucleophiles

  摘要：

  Reactions of quinazoline 1 with indole, pyrogallol and 1-phenyl-3-methylpyrazol-5-one in the presence of acid led to C-4 adducts 2, 3 and 5. Adduct 4 is formed by heating I with 1,3-dimethylbarbituric acid without acid catalysis. 1-Phenyl-3-methylpyrazol-5-one reacts with 1 without acid catalysis to form dipyrazolylmethane 6. 4-Chloroquinazoline 8 reacts with 1-phenyl-3-methylpyrazol-5-one to form 4-(1-phenyl-3-methyl-5-oxopyrazol-4-yl) quinazoline 9 and dipyrazolylmethane 6. Heating 8 with 2-methylindole leads to the formation of 4-(2-methylindol-3-yl) quinazoline 10 and tris(2-methylindol-3-yl)methane 11. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.199