N-Acetoxy-N'-methyl-N-propoxyurea | 502448-14-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-Acetoxy-N'-methyl-N-propoxyurea
• 英文别名: N-acetoxy-N'-methyl-N-n-propoxyurea；[Methylcarbamoyl(propoxy)amino] acetate
• CAS: 502448-14-8
• 化学式: C₇H₁₄N₂O₄
• 分子量: 190.199
• InChiKey: PQNQAHCQAAEPQN-UHFFFAOYSA-N

物化性质

• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  异丙醇 、 N-Acetoxy-N'-methyl-N-propoxyurea 反应 450.0h， 以71%的产率得到N-isopropoxy-N'-methyl-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：

  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-Acetoxy-N'-methyl-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

• Shtamburg; Pleshkova; Serdyuk, Russian Journal of Organic Chemistry, 1999, vol. 35, # 10, p. 1549 - 1550
  作者：Shtamburg、Pleshkova、Serdyuk、Ivonin

  DOI：——

  日期：——