bromo-malonic acid di-p-toluidide | 333309-95-8

• 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: bromo-malonic acid di-p-toluidide
• 英文别名: Brom-malonsaeure-di-p-toluidid；2-bromo-N,N'-bis(4-methylphenyl)propanediamide
• CAS: 333309-95-8
• 化学式: C₁₇H₁₇BrN₂O₂
• 分子量: 361.238
• InChiKey: CKNGYGHRHPILIC-UHFFFAOYSA-N

物化性质

• 沸点：
  556.9±50.0 °C(Predicted)
• 密度：
  1.467±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  4
• 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：

  bromo-malonic acid di-p-toluidide 在 磺酰氯 作用下， 生成 bromo-chloro-malonic acid di-p-toluidide
  参考文献：
  名称：

  Shah; Thosar, Journal of the Indian Chemical Society, 1939, vol. 16, p. 556

  摘要：

  DOI：
• 作为产物：
  描述：

  对丙二酰二甲苯胺 在 溴 、 溶剂黄146 作用下， 反应 1.0h， 以72%的产率得到bromo-malonic acid di-p-toluidide
  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

• Naik; Trivedi; Mehta, Journal of the Indian Chemical Society, 1943, vol. 20, p. 369
  作者：Naik、Trivedi、Mehta

  DOI：——

  日期：——
• West, Journal of the Chemical Society, 1925, vol. 127, p. 753
  作者：West

  DOI：——

  日期：——
• Avasare; Shah; Shah, Journal of the Indian Chemical Society, 1949, vol. 26, p. 575
  作者：Avasare、Shah、Shah

  DOI：——

  日期：——
• 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.