N-异丙氧基氨基甲酸乙酯 | 70084-52-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-异丙氧基氨基甲酸乙酯
• 英文名称: ethyl N-isopropoxycarbamate
• 英文别名: N-Isopropoxy-carbamidsaeure-aethylester；isopropoxy-carbamic acid ethyl ester；Isopropyloxy-carbamidsaeureaethylester；Isopropoxy-carbamidsaeure-aethylester；Isopropoxycarbamic acid, ethyl ester；ethyl N-propan-2-yloxycarbamate
• CAS: 70084-52-5
• 化学式: C₆H₁₃NO₃
• 分子量: 147.174
• InChiKey: VRYYEVHIXIABTG-UHFFFAOYSA-N

物化性质

• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-异丙氧基氨基甲酸乙酯 在 次氯酸叔丁酯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 ethyl N-chloro-N-isopropoxycarbamate
  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-羟基氨基甲酸乙酯 、 2-溴丙烷 在 氢氧化钾 、 乙醇 作用下， 生成 N-异丙氧基氨基甲酸乙酯
  参考文献：
  名称：

  Hecker, American Chemical Journal, 1913, vol. 50, p. 457

  摘要：

  DOI：

文献信息

• Hecker, American Chemical Journal, 1913, vol. 50, p. 457
  作者：Hecker

  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.