2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-methylene-1,3-indandione | 484049-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-methylene-1,3-indandione
• 英文别名: 2-[3-(4-Fluoro-phenyl)-1H-pyrazol-4-ylmethylene]-indan-1,3-dione；2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]indene-1,3-dione
• CAS: 484049-75-4
• 化学式: C₁₉H₁₁FN₂O₂
• mdl: MFCD02934769
• 分子量: 318.307
• InChiKey: PCNXVESSNRIHOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-methylene-1,3-indandione 以 硝基苯 、 正丁醇 为溶剂， 反应 14.0h， 生成 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 、 1,3-茚满二酮 以 乙醇 为溶剂， 反应 3.0h， 以95%的产率得到2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-methylene-1,3-indandione
  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

文献信息

• 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde in the synthesis of aza-and diazaphenanthrene derivatives
  作者：N. G. Kozlov、K. N. Gusak

  DOI：10.1134/s1070428007020157

  日期：2007.2

  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.