4-[1,5-diphenyl-4-benzoyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxanilide | 1174065-79-2

• 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: 4-[1,5-diphenyl-4-benzoyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxanilide
• 英文别名: (4-benzoyl-1,5-diphenyl-pyrazol-3-yl)-(1-phenyl-3-phenylaminocarbonyl-pyrazol-4-yl)ketone；4-(4-benzoyl-1,5-diphenylpyrazole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
• CAS: 1174065-79-2
• 化学式: C₃₉H₂₇N₅O₃
• 分子量: 613.675
• InChiKey: BTQHDEWPBTWWSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[1,5-diphenyl-4-benzoyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxanilide 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 4-(1,5-diphenyl-4-benzoylpyrazol-3-yl)-2-phenyl-7-oxo-2H,6H-pyrazolo[3,4-d]pyridazine
  参考文献：
  名称：

  Site-selectivity in hydrazinolysis of 3,4'-bis-(functionalized carbonyl)-4,3'-bis(pyrazolyl)ketones. A convenient synthesis of 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]-pyridazines

  摘要：

  Reaction of hydrazine hydrate with 3,4-bis-(functionalized carbonyl)-4,3-bis(pyrazolyl)ketones proceeds regioselectively affording the corresponding 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]pyridazine derivatives in high yields. The structures of the products were determined by spectroscopic and elemental analyses and supported by comparison with the possible isomers prepared by an independent route.

  DOI：

  10.3998/ark.5550190.0013.525
• 作为产物：
  描述：

  1-(4-benzoyl-1,5-diphenylpyrazol-3-yl)-3-(dimethylamino)prop-2-en-1-one 、 2-氯-2-(2-苯基肼基)-N-苯乙酰胺 在 三乙胺 作用下， 以 苯 为溶剂， 反应 20.0h， 以72%的产率得到4-[1,5-diphenyl-4-benzoyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxanilide
  参考文献：
  名称：

  Site-selectivity in hydrazinolysis of 3,4'-bis-(functionalized carbonyl)-4,3'-bis(pyrazolyl)ketones. A convenient synthesis of 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]-pyridazines

  摘要：

  Reaction of hydrazine hydrate with 3,4-bis-(functionalized carbonyl)-4,3-bis(pyrazolyl)ketones proceeds regioselectively affording the corresponding 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]pyridazine derivatives in high yields. The structures of the products were determined by spectroscopic and elemental analyses and supported by comparison with the possible isomers prepared by an independent route.

  DOI：

  10.3998/ark.5550190.0013.525

文献信息

• Synthesis and antitumor activity of novel pyrazolylenaminone and bis(pyrazolyl)ketones<i>via</i>hydrazonoyl halides
  作者：Ahmad S. Shawali、Sherif M. Sherif、Mahmoud M. El-Merzabani、Manal A. A. Darwish

  DOI：10.1002/jhet.113

  日期：2009.5

  give the novel enaminone . The reaction of the latter with various hydrazonoyl halides afforded regioselectively the respective substituted (3-pyrazolyl)(4-pyrazolyl)ketones in good over all yield. The preliminary screening for the antitumor activity of the synthesized compounds and against human breast cancer cell line (MCF-7) revealed that both compounds and have high-antitumor activity. SAR is discussed

  3-乙酰基-4-苯甲酰基-1,5-二苯基吡唑与DMF-DMA反应生成新的烯胺。后者与各种酰肼基卤化物的反应可区域选择性地提供各自取代的（3-吡唑基）（4-吡唑基）酮在所有产量上都有很好的表现。合成化合物抗肿瘤活性的初步筛选 和 对抗人乳腺癌细胞系（MCF-7）揭示了这两种化合物 和 具有高抗肿瘤活性。讨论了SAR。J. Heterocyclic Chem。，46，548（2009）。
• Site-selectivity in hydrazinolysis of 3,4'-bis-(functionalized carbonyl)-4,3'-bis(pyrazolyl)ketones. A convenient synthesis of 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]-pyridazines
  作者：Ahmad Sami Shawali、Adel J. M. Haboub

  DOI：10.3998/ark.5550190.0013.525

  日期：——

  Reaction of hydrazine hydrate with 3,4-bis-(functionalized carbonyl)-4,3-bis(pyrazolyl)ketones proceeds regioselectively affording the corresponding 4-(pyrazol-3-yl)-2H-pyrazolo[3,4-d]pyridazine derivatives in high yields. The structures of the products were determined by spectroscopic and elemental analyses and supported by comparison with the possible isomers prepared by an independent route.