N-methyl-N'-n-propoxyurea | 502448-04-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-methyl-N'-n-propoxyurea
• 英文别名: N-propyloxy-N’-methylurea；N-methyl-N'-propoxyurea；1-methyl-3-propoxyurea
• CAS: 502448-04-6
• 化学式: C₅H₁₂N₂O₂
• mdl: MFCD19225781
• 分子量: 132.162
• InChiKey: HHMBZDXAOZKZMW-UHFFFAOYSA-N

物化性质

• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-N'-n-propoxyurea 在 次氯酸叔丁酯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 25.5h， 生成 N-benzoyloxy-N'-methyl-N-n-propoxyurea
  参考文献：
  名称：

  Geminal systems. 50. Synthesis and alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides

  摘要：

  Procedures were developed for the synthesis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides by the reactions of the corresponding N-alkoxy-N-chloro derivatives with sodium carboxylates in MeCN. N-Chloro-N-etlioxy-p-toluenesulfonamide was inert in this reaction. Alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and tert-alkylamines afforded the corresponding N,N-dialkoxy derivatives, whereas alcoholysis of N-acetoxy-N-ethoxybenzamide gave rise to alkyl benzoates.

  DOI：

  10.1023/b:rucb.0000011887.40529.b0
• 作为产物：
  描述：

  O-n-propylhydroxylamine 、 异氰酸甲酯 以 乙醚 为溶剂， 反应 144.0h， 以90.5%的产率得到N-methyl-N'-n-propoxyurea
  参考文献：
  名称：

  Geminal systems. 50. Synthesis and alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides

  摘要：

  Procedures were developed for the synthesis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides by the reactions of the corresponding N-alkoxy-N-chloro derivatives with sodium carboxylates in MeCN. N-Chloro-N-etlioxy-p-toluenesulfonamide was inert in this reaction. Alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and tert-alkylamines afforded the corresponding N,N-dialkoxy derivatives, whereas alcoholysis of N-acetoxy-N-ethoxybenzamide gave rise to alkyl benzoates.

  DOI：

  10.1023/b:rucb.0000011887.40529.b0

文献信息

• Interaction of Ninhydrin with N-Alkoxy-N’-arylureas and N-Alkoxy-N’-alkylureas. 1-Alkoxy-3-aryl(alkyl)-3a,8a-dihydroxy-1,3,3a,8a-tetrahydroindeno [1,2-d]imidazole-2,8-diones: Synthesis and Structure
  作者：Vasiliy G. Shtamburg、Victor V. Shtamburg、Andrey A. Anishchenko、Alexander V. Mazepa、Eduard B. Rusanov

  DOI：10.1016/j.molstruc.2021.131443

  日期：2022.1
• Geminal systems. 50. Synthesis and alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides
  作者：V. G. Shtamburg、E. A. Klots、A. P. Pleshkova、V. I. Avramenko、S. P. Ivonin、A. V. Tsygankov、R. G. Kostyanovsky

  DOI：10.1023/b:rucb.0000011887.40529.b0

  日期：2003.10

  Procedures were developed for the synthesis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and benzamides by the reactions of the corresponding N-alkoxy-N-chloro derivatives with sodium carboxylates in MeCN. N-Chloro-N-etlioxy-p-toluenesulfonamide was inert in this reaction. Alcoholysis of N-acyloxy-N-alkoxy derivatives of ureas, carbamates, and tert-alkylamines afforded the corresponding N,N-dialkoxy derivatives, whereas alcoholysis of N-acetoxy-N-ethoxybenzamide gave rise to alkyl benzoates.