2-(4-bromophenyl)-3,4-dimethyl-6-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one | 132330-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-bromophenyl)-3,4-dimethyl-6-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
• 英文别名: 2-(4-bromophenyl)-3,4-dimethyl-6-phenylpyrazolo[3,4-d]pyridazin-7-one
• CAS: 132330-65-5
• 化学式: C₁₉H₁₅BrN₄O
• 分子量: 395.258
• InChiKey: ALLSVVPGLQOIBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰丙酮 在 sodium ethanolate 、 溶剂黄146 作用下， 反应 27.0h， 生成 2-(4-bromophenyl)-3,4-dimethyl-6-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
  参考文献：
  名称：

  Patel; Fernandes; Vyas, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 10, p. 966 - 969

  摘要：

  DOI：

文献信息

• Synthesis and properties of ethyl 1-aryl-5-methyl-4-[1-(phenylhydrazinylidene)ethyl]-1H-pyrazole-3-carboxylates
  作者：M. A. Potopnyk、V. S. Matiichuk、M. D. Obushak

  DOI：10.1134/s1070428017010110

  日期：2017.1

  Ethyl 1-aryl-4-acetyl-5-methyl-1H-pyrazole-3-carboxylates reacted with phenylhydrazine to give the corresponding hydrazones, ethyl 1-aryl-5-methyl-4-[1-(phenylhydrazinylidene)ethyl]-1H-pyrazole-3-carboxylates, which were converted to ethyl 1'-aryl-4-formyl-5'-methyl-1-phenyl-1H,1'H-3,4'-bipyrazole-3'-carboxylates by treatment with the Vilsmeier-Haack reagent. No indole derivatives were formed from the same hydrazones under the Fischer reaction conditions, but cyclization to 2-aryl-3,4-dimethyl-6-phenyl-2,6-dihydro-7H- pyrazolo[3,4-d] pyridazin-7-ones was observed.
• PATEL, HIMATKUMAR V.;FERNANDES, P. S.;VYAS, KAVITA A., INDIAN J. CHEM. B, 29,(1990) N0, C. 966-969
  作者：PATEL, HIMATKUMAR V.、FERNANDES, P. S.、VYAS, KAVITA A.

  DOI：——

  日期：——