N-(3,4-dimethoxyphenyl)imidazole-1-carboxamide | 1378233-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3,4-dimethoxyphenyl)imidazole-1-carboxamide
• CAS: 1378233-03-4
• 化学式: C₁₂H₁₃N₃O₃
• 分子量: 247.254
• InChiKey: YQGZZHJMXFNDQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3,4-dimethoxyphenyl)imidazole-1-carboxamide 、 苯硫酚 以 水 为溶剂， 反应 2.0h， 生成
  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 、 3,4-二甲氧基苯胺 以 水 为溶剂， 反应 1.0h， 以85%的产率得到N-(3,4-dimethoxyphenyl)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

• 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.