dibromomalonic acid N,N'-dibenzylamide | 512187-40-5

• 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: dibromomalonic acid N,N'-dibenzylamide
• 英文别名: dibromo-malonic acid bis-benzylamide；Dibrom-malonsaeure-bis-benzylamid；N,N'-dibenzyl-2,2-dibromopropanediamide
• CAS: 512187-40-5
• 化学式: C₁₇H₁₆Br₂N₂O₂
• 分子量: 440.134
• InChiKey: YZSBOCVRUADREU-UHFFFAOYSA-N

物化性质

• 沸点：
  585.9±50.0 °C(Predicted)
• 密度：
  1.625±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dibromomalonic acid N,N'-dibenzylamide 、 溶剂黄146 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N,N'-二(苯基甲基)丙烷二酰胺
  参考文献：
  名称：

  Backes; West; Whiteley, Journal of the Chemical Society, 1921, vol. 119, p. 360

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-二(苯基甲基)丙烷二酰胺 在 溴 、 溶剂黄146 作用下， 反应 1.0h， 以77%的产率得到dibromomalonic acid N,N'-dibenzylamide
  参考文献：
  名称：

  摘要：

  Aiming at preparation of biologically active compounds a bromination of N,N'-substituted malonodiamides in a glacial acetic acid was carried out. The use of one equiv of bromine provided mono-bromo derivatives, with two equiv of bromine dibromo-substituted products were obtained. Among the N,N'-dibenzylantides of alkylmalonic acids only the methyl homolog underwent bromination. The structure of compounds was proved by IR and H-1 NMR spectroscopy. The effect of the compounds synthesized on the central nervous system was investigated.

  DOI：

  10.1023/a:1020972620099

文献信息

• Backes; West; Whiteley, Journal of the Chemical Society, 1921, vol. 119, p. 360
  作者：Backes、West、Whiteley

  DOI：——

  日期：——
• ——
  作者：V. A. Georiyants、P. A. Bezuglyi

  DOI：10.1023/a:1020972620099

  日期：——

  Aiming at preparation of biologically active compounds a bromination of N,N'-substituted malonodiamides in a glacial acetic acid was carried out. The use of one equiv of bromine provided mono-bromo derivatives, with two equiv of bromine dibromo-substituted products were obtained. Among the N,N'-dibenzylantides of alkylmalonic acids only the methyl homolog underwent bromination. The structure of compounds was proved by IR and H-1 NMR spectroscopy. The effect of the compounds synthesized on the central nervous system was investigated.