O-(2,4-dinitrophenyl)-p,p'-dimethoxybenzophenone oxime | 173416-65-4

• 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: O-(2,4-dinitrophenyl)-p,p'-dimethoxybenzophenone oxime
• 英文别名: N-(2,4-dinitrophenoxy)-1,1-bis(4-methoxyphenyl)methanimine
• CAS: 173416-65-4
• 化学式: C₂₁H₁₇N₃O₇
• 分子量: 423.382
• InChiKey: IHYQDVLJMNEQHN-UHFFFAOYSA-N

物化性质

• 沸点：
  581.5±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  126.33
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  正己胺 、 O-(2,4-dinitrophenyl)-p,p'-dimethoxybenzophenone oxime 以 苯 为溶剂， 生成 N-(2,4-二硝基苯基)己胺
  参考文献：
  名称：

  Jain, A. K.; Singh, P.; Atray, Neeraj, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 12, p. 1047 - 1052

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-dimethoxybenzophenone oxime 、 1-氯-2,4-二硝基苯 在 sodium 作用下， 以 甲醇 为溶剂， 生成 O-(2,4-dinitrophenyl)-p,p'-dimethoxybenzophenone oxime
  参考文献：
  名称：

  Aminolysis ofO-(2,4-dinitrophenyl)-p,p?-disubstituted benzophenone oximes in benzene: Evidence for Hirst's mechanism

  摘要：

  The reactions of O-(2,4-dinitrophenyl)-substituted p,p'-dimethoxybenzophenone oxime, p,p'-fluorobenzophenone oxime and p,p'-dichlorobenzophenone oxime with pyrrolidine and piperidine in benzene were found to be third order in amine, with no uncatalytic route. The overall rate is a combined effect of rates of two routes, one of which increases and the other decreases with rise in temperature. The relative contribution of the two routes to overall rate varies with temperature, nucleofugicity of the substrate, nucleophilicity and concentration of amine, As a result, the effect of temperature on the overall rate for some reactions is positive and for others negative. This unusual temperature effect on the overall rate supports Hirst's mechanism.

  DOI：

  10.1002/(sici)1099-1395(199611)9:11<770::aid-poc846>3.0.co;2-5