1-氯-3-甲基-1-丙氧基脲 | 502448-01-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-氯-3-甲基-1-丙氧基脲
• 英文名称: N-Propoxy-N-chloro-N'-methylurea
• 英文别名: N-chloro-N'-methyl-N-n-propoxyurea；N-Chloro-N'-methyl-N-propoxyurea；1-chloro-3-methyl-1-propoxyurea
• CAS: 502448-01-3
• 化学式: C₅H₁₁ClN₂O₂
• 分子量: 166.608
• InChiKey: ILHHOUBAESGKJZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 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：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氯-3-甲基-1-丙氧基脲 以 乙腈 为溶剂， 反应 475.0h， 生成 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 为溶剂， 反应 0.5h， 以98.5%的产率得到1-氯-3-甲基-1-丙氧基脲
  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

• Acyloxy group exchange in N-acyloxy-N-alkoxyamides
  作者：Vasiliy G. Shtamburg、Alexandr V. Tsygankov、Evgeniy A. Klots、Remir G. Kostyanovsky

  DOI：10.1070/mc2004v014n05abeh001908

  日期：2004.1

  Acyloxy group exchange at the nitrogen atom proceeds in the interaction of N-acyloxy-N-alkoxyureas, N-acyloxy-N-alkoxybenzamides and N-acyloxy-N-alkoxycarbamates with Na and K carboxylates in MeCN.
• Shtamburg; Pleshkova; Serdyuk, Russian Journal of Organic Chemistry, 1999, vol. 35, # 10, p. 1549 - 1550
  作者：Shtamburg、Pleshkova、Serdyuk、Ivonin

  DOI：——

  日期：——
• 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.