3-(4-bromophenyl)-2-cyano-N-methylprop-2-enamide | 939644-14-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(4-bromophenyl)-2-cyano-N-methylprop-2-enamide
• CAS: 939644-14-1
• 化学式: C₁₁H₉BrN₂O
• 分子量: 265.109
• InChiKey: FETIPEUESBMADT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  52.89
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenyl)-2-cyano-N-methylprop-2-enamide 在 一水合肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-(4-bromophenyl)pyrazolo[3,4-c]pyrazol-3(2H)-one
  参考文献：
  名称：

  One-pot synthesis of functionalized pyrazolo[3,4-c]pyrazoles by reaction of 2-cyano-N-methyl-acrylamide, aryl aldehyde, and hydrazine hydrate

  摘要：

  A simple and efficient procedure for the synthesis of novel 4-aryl pyrazolo[3,4-c]pyrazol-3(2H)-ones via a one-pot, three-component reaction between 2-cyano-N-methylacetamide, aryl aldehydes, and hydrazine hydrate in the presence of Et3N in DMF is reported. Products are obtained in good yields and their structures are supported by their spectroscopic data and combustion analysis.[GRAPHICS].

  DOI：

  10.24820/ark.5550190.p011.250
• 作为产物：
  描述：

  对溴苯甲醛 、 2-氰基-N-甲基乙酰胺 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3-(4-bromophenyl)-2-cyano-N-methylprop-2-enamide
  参考文献：
  名称：

  One-pot synthesis of functionalized pyrazolo[3,4-c]pyrazoles by reaction of 2-cyano-N-methyl-acrylamide, aryl aldehyde, and hydrazine hydrate

  摘要：

  A simple and efficient procedure for the synthesis of novel 4-aryl pyrazolo[3,4-c]pyrazol-3(2H)-ones via a one-pot, three-component reaction between 2-cyano-N-methylacetamide, aryl aldehydes, and hydrazine hydrate in the presence of Et3N in DMF is reported. Products are obtained in good yields and their structures are supported by their spectroscopic data and combustion analysis.[GRAPHICS].

  DOI：

  10.24820/ark.5550190.p011.250

文献信息

• Reaction of methyl 1-bromocyclohexanecarboxylate with zinc and 3-aryl-2-cyanopropenoic acids amides
  作者：N. F. Kirillov、E. A. Nikiforova、S. N. Shurov、P. A. Slepukhin、M. I. Vakhrin

  DOI：10.1134/s1070363212070079

  日期：2012.7

  Methyl 1-bromocyclohexanecarboxylate reacts with zinc and amides or methylamides of 3-aryl-2-cyanopropenoic acids to give 5-aryl-1,3-dioxo-2-azaspiro[5.5]undecane-4-carbonitriles or 5-aryl-2-methyl-1,3-dioxo-2-azaspiro[5.5]undecane-4-carbonitriles.