5-methyl-3-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline | 866018-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-3-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
• 英文别名: 3-(4-Chlorophenyl)-5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
• CAS: 866018-13-5
• 化学式: C₁₇H₁₆ClN₃
• 分子量: 297.787
• InChiKey: WLLCAJOLMOOKRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-乙酰基环己酮 、 (4-氯苯基)-氧代乙腈 在 一水合肼 、 溶剂黄146 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 31.0h， 生成 5-methyl-3-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline 、 9-methyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
  参考文献：
  名称：

  Study of regioselectivity of reactions between 3(5)-aminopyrazoles and 2-acetylcycloalkanones

  摘要：

  Regioselectivity was examined of reactions between nine 3(5)-aminopyrazoles and 2-acetylcyclopentanone and 2-acetylcyclohexanone under various conditions. A series of cyclopenta[e]pyrazolo-[1,5-a]pyrimidines was obtained. The highest regioselectivity of the reaction was observed in alcohol at 20A degrees C in the presence of a catalytic quantity of trifl uoroacetic acid. The regiostructure of compounds was established by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.1134/s1070428012080131

文献信息

• Study of regioselectivity of reactions between 3(5)-aminopyrazoles and 2-acetylcycloalkanones
  作者：A. A. Petrov、A. N. Kasatochkin、E. E. Emelina

  DOI：10.1134/s1070428012080131

  日期：2012.8

  Regioselectivity was examined of reactions between nine 3(5)-aminopyrazoles and 2-acetylcyclopentanone and 2-acetylcyclohexanone under various conditions. A series of cyclopenta[e]pyrazolo-[1,5-a]pyrimidines was obtained. The highest regioselectivity of the reaction was observed in alcohol at 20A degrees C in the presence of a catalytic quantity of trifl uoroacetic acid. The regiostructure of compounds was established by H-1 and C-13 NMR spectroscopy.