(4-Nitro-benzyliden)-4,4'-bis-(3-methyl-1-phenyl-pyrazol-5-on) | 96068-41-6

• 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-Nitro-benzyliden)-4,4'-bis-(3-methyl-1-phenyl-pyrazol-5-on)
• 英文别名: 4,4'-p-nitrobenzylidene-bis(1-phenyl-3-methyl-2-pyrazolin-5-one)；5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(4-nitro-phenylmethanediyl)-bis-pyrazol-3-one；5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one
• CAS: 96068-41-6
• 化学式: C₂₇H₂₃N₅O₄
• 分子量: 481.511
• InChiKey: UPLCSJYZDURRJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-Nitro-benzyliden)-4,4'-bis-(3-methyl-1-phenyl-pyrazol-5-on) 以75%的产率得到
  参考文献：
  名称：

  NAYAK A.; MITTRA A. S., INDIAN J. CHEM., 1980, B 17, NO 6, 620-622

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-1-苯基-1H-吡唑-5-醇 、 (4-硝基苄基亚基)苯胺 以 乙醇 为溶剂， 以75%的产率得到3-methyl-4-(4-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  New aspects in the reaction of azomethines with cyclic CH-acidic compounds

  摘要：

  Treatment of substituted benzylidene anilines 1 a - f with cyclic CH-acidic compounds 2 a - m in ethanol at room temperature yields in additon/elimination reactions the corresponding arylidene derivatives 4 and the 2 : 1 adducts 5. The addition products 3, which are formed as intermediates, could not be isolated in any case. The donor/acceptor effect of the substituents on the benzylidene moiety influences to a significant extent the reactivity towards the azomethine carbon.

  DOI：

  10.1007/bf00816851

文献信息

• Nayak; Das; Mahapatra, Journal of the Indian Chemical Society, 1981, vol. 58, # 4, p. 347 - 349
  作者：Nayak、Das、Mahapatra、Mittra

  DOI：——

  日期：——
• New aspects in the reaction of azomethines with cyclic CH-acidic compounds
  作者：Lothar Hennig、Mario Alva-Astudillo、Gerhard Mann、Thomas Kappe

  DOI：10.1007/bf00816851

  日期：——

  Treatment of substituted benzylidene anilines 1 a - f with cyclic CH-acidic compounds 2 a - m in ethanol at room temperature yields in additon/elimination reactions the corresponding arylidene derivatives 4 and the 2 : 1 adducts 5. The addition products 3, which are formed as intermediates, could not be isolated in any case. The donor/acceptor effect of the substituents on the benzylidene moiety influences to a significant extent the reactivity towards the azomethine carbon.
• NAYAK A.; MITTRA A. S., INDIAN J. CHEM., 1980, B 17, NO 6, 620-622
  作者：NAYAK A.、 MITTRA A. S.

  DOI：——

  日期：——