2-methylene-3-(nitromethyl)nonanenitrile | 1294493-89-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-methylene-3-(nitromethyl)nonanenitrile
• 英文别名: 2-Methylidene-3-(nitromethyl)nonanenitrile
• CAS: 1294493-89-2
• 化学式: C₁₁H₁₈N₂O₂
• 分子量: 210.276
• InChiKey: LBHLJNRTOSWCNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-Hept-(E)-ylidene-4-methyl-benzenesulfonamide 反应 8.08h， 生成 2-methylene-3-(nitromethyl)nonanenitrile
  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.