4-Nitro-3-phenyl-2-(triphenyl-lambda5-phosphanylidene)butanenitrile | 1294493-94-9

• 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-3-phenyl-2-(triphenyl-lambda5-phosphanylidene)butanenitrile
• 英文别名: 4-nitro-3-phenyl-2-(triphenyl-λ5-phosphanylidene)butanenitrile
• CAS: 1294493-94-9
• 化学式: C₂₈H₂₃N₂O₂P
• 分子量: 450.477
• InChiKey: DXRFVFQSASUDKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 4-Nitro-3-phenyl-2-(triphenyl-lambda5-phosphanylidene)butanenitrile 反应 8.0h， 生成 2-methylene-4-nitro-3-phenylbutanenitrile
  参考文献：
  名称：

  Four-Component Reaction of N-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles

  摘要：

  An efficient four-component synthesis of 3-substituted 2-methylene-4-nitrobutanenitriles has been developed from N-sulfonylimines, (cyanomethylene)triphenylphosphorane, nitromethane, and formaldehyde in the absence of catalysts and additives at room temperature.

  DOI：

  10.1021/jo200483n
• 作为产物：
  描述：

  硝基甲烷 、 N-benzylidene-4-methoxy-benzenesulfonamide 、 (三苯基膦)乙腈 反应 0.08h， 生成 4-Nitro-3-phenyl-2-(triphenyl-lambda5-phosphanylidene)butanenitrile
  参考文献：
  名称：

  Four-Component Reaction of N-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles

  摘要：

  An efficient four-component synthesis of 3-substituted 2-methylene-4-nitrobutanenitriles has been developed from N-sulfonylimines, (cyanomethylene)triphenylphosphorane, nitromethane, and formaldehyde in the absence of catalysts and additives at room temperature.

  DOI：

  10.1021/jo200483n

文献信息

• Four-Component Reaction of <i>N</i>-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles
  作者：Yin-Huan Jin、Fan Fang、Xiang Zhang、Qing-Zhou Liu、Hao-Bo Wang、Shi-Kai Tian

  DOI：10.1021/jo200483n

  日期：2011.5.20

  An efficient four-component synthesis of 3-substituted 2-methylene-4-nitrobutanenitriles has been developed from N-sulfonylimines, (cyanomethylene)triphenylphosphorane, nitromethane, and formaldehyde in the absence of catalysts and additives at room temperature.