13-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,13-dihydro-12H-benzo[f]indeno[1,2-b]quinolin-12-one | 1001610-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 13-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,13-dihydro-12H-benzo[f]indeno[1,2-b]quinolin-12-one
• 英文别名: 12-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaen-10-one
• CAS: 1001610-16-7
• 化学式: C₂₉H₁₈FN₃O
• 分子量: 443.48
• InChiKey: GUGBZYZQTAKREM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  13-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,13-dihydro-12H-benzo[f]indeno[1,2-b]quinolin-12-one 以 硝基苯 为溶剂， 反应 8.0h， 以71%的产率得到13-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-12H-benzo[f]indeno[1,2-b]quinolin-12-one
  参考文献：
  名称：

  3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde in the synthesis of aza-and diazaphenanthrene derivatives

  摘要：

  Condensation of 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde with 2-naphthyl- or 6-quinolylamine and CH-acids (acetone, acetophenone, cyclic mono- and beta-diketones) provided new derivatives of benzo[f]quinoline, benzo[a]phenanthridine, benzo[a]acridine, and 4,7-phenanthioline. The arising in the course of the reaction [3-(4-fluorophenyl)-1H-pyrazole-4-ylmethylene]-2-naphthyl-(or 6-quinolyl)amines, [3-(4-fluorophenyl)-1H-pyrazole-4-ylmethylene]-1,3-indandione, and octahydro-1,8-xanthenedione derivatives were isolated.

  DOI：

  10.1134/s1070428007020157
• 作为产物：
  描述：

  3-(4-氟苯基)-1H-吡唑-4-甲醛 以 乙醇 、 正丁醇 为溶剂， 反应 9.0h， 生成 13-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,13-dihydro-12H-benzo[f]indeno[1,2-b]quinolin-12-one
  参考文献：
  名称：

  3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde in the synthesis of aza-and diazaphenanthrene derivatives

  摘要：

  Condensation of 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde with 2-naphthyl- or 6-quinolylamine and CH-acids (acetone, acetophenone, cyclic mono- and beta-diketones) provided new derivatives of benzo[f]quinoline, benzo[a]phenanthridine, benzo[a]acridine, and 4,7-phenanthioline. The arising in the course of the reaction [3-(4-fluorophenyl)-1H-pyrazole-4-ylmethylene]-2-naphthyl-(or 6-quinolyl)amines, [3-(4-fluorophenyl)-1H-pyrazole-4-ylmethylene]-1,3-indandione, and octahydro-1,8-xanthenedione derivatives were isolated.

  DOI：

  10.1134/s1070428007020157