1,1'-(furan-2-ylmethylene)diurea | 93675-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1,1'-(furan-2-ylmethylene)diurea
• 英文别名: [(Carbamoylamino)-(furan-2-yl)methyl]urea；[(carbamoylamino)-(furan-2-yl)methyl]urea
• CAS: 93675-08-2
• 化学式: C₇H₁₀N₄O₃
• 分子量: 198.181
• InChiKey: QDIMXAPBLRUGPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1'-(furan-2-ylmethylene)diurea 、 乙酰乙酸乙酯 在 甘露醇 、 citric acid 、 尿素 作用下， 以 melt 为溶剂， 反应 19.0h， 生成 ethyl 6-methyl-4(fur-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  参考文献：
  名称：

  10.33224/rrch.2019.64.7.05

  摘要：

  DOI：

  10.33224/rrch.2019.64.7.05
• 作为产物：
  描述：

  糠醛 、 尿素 反应 1.0h， 以56%的产率得到1,1'-(furan-2-ylmethylene)diurea
  参考文献：
  名称：

  Eco-efficiency and scalable synthesis of bisamides in deep eutectic solvent

  摘要：

  Solvents define a major part of the environmental performance of processes in chemical industry and also impact on cost, safety and health issues. In order to minimize the environmental impact resulting from the use of volatile organic solvents in chemical production, a deep eutectic solvent (DES) consisting of choline chloride and urea (1:2 molar ratio) was prepared and used as the co-solvent for the preparation of gem-bisamides starting from aldehydes. The deep eutectic solvent fulfills the triple role of being a solvent, as a catalyst and as reagents, and provides a green, safe and cost-effective access to various gem-bisamides without a tedious work-up. The desired compounds were obtained in a few mm (15-120 min) with moderate to good yields (52-90%) and amenable to large scale production without significant loss in its efficiency. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2015.02.033