N-(2-methoxyethyl)-1H-imidazole-1-carboxamide | 1087797-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2-methoxyethyl)-1H-imidazole-1-carboxamide
• 英文别名: N-(2-methoxyethyl)imidazole-1-carboxamide
• CAS: 1087797-77-0
• 化学式: C₇H₁₁N₃O₂
• mdl: MFCD11099705
• 分子量: 169.183
• InChiKey: MFCCEFIYUUDSEN-UHFFFAOYSA-N

物化性质

• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-methoxyethyl)-1H-imidazole-1-carboxamide 、 4-甲氧基苯酚 以 水 为溶剂， 反应 2.0h， 生成 4-Methoxyphenyl 2-methoxyethylcarbamate
  参考文献：
  名称：

  Unprecedented “In Water” Imidazole Carbonylation: Paradigm Shift for Preparation of Urea and Carbamate

  摘要：

  The first "In Water" Imidazolecarbonylation of amine is described. A one pot reaction of carbonylimidazolide in water with a nucleophile provides an efficient and general method for the preparation of urea, carbamates and thiocarbamates. Use of an anhydrous solvent and an inert atmosphere could be avoided. Product precipitate out from the reaction mixture and can be obtained In high purity by filtration, resulting in a simple and scalable method.

  DOI：

  10.1021/ol301009d
• 作为产物：
  描述：

  N,N'-羰基二咪唑 、 2-甲氧基乙胺 以 水 为溶剂， 反应 1.0h， 生成 N-(2-methoxyethyl)-1H-imidazole-1-carboxamide
  参考文献：
  名称：

  Unprecedented “In Water” Imidazole Carbonylation: Paradigm Shift for Preparation of Urea and Carbamate

  摘要：

  The first "In Water" Imidazolecarbonylation of amine is described. A one pot reaction of carbonylimidazolide in water with a nucleophile provides an efficient and general method for the preparation of urea, carbamates and thiocarbamates. Use of an anhydrous solvent and an inert atmosphere could be avoided. Product precipitate out from the reaction mixture and can be obtained In high purity by filtration, resulting in a simple and scalable method.

  DOI：

  10.1021/ol301009d

文献信息

• US6403805B1
  申请人：——

  公开号：US6403805B1

  公开（公告）日：2002-06-11
• Unprecedented “In Water” Imidazole Carbonylation: Paradigm Shift for Preparation of Urea and Carbamate
  作者：Kamlesh J. Padiya、Sandip Gavade、Bhavana Kardile、Manojkumar Tiwari、Swapnil Bajare、Madhav Mane、Vivek Gaware、Shaji Varghese、Dipak Harel、Suresh Kurhade

  DOI：10.1021/ol301009d

  日期：2012.6.1

  The first "In Water" Imidazolecarbonylation of amine is described. A one pot reaction of carbonylimidazolide in water with a nucleophile provides an efficient and general method for the preparation of urea, carbamates and thiocarbamates. Use of an anhydrous solvent and an inert atmosphere could be avoided. Product precipitate out from the reaction mixture and can be obtained In high purity by filtration, resulting in a simple and scalable method.