1-(3,4-dimethoxyphenethyl)-3-ethylurea

• 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: 1-(3,4-dimethoxyphenethyl)-3-ethylurea
• 英文别名: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-ethylurea
• 化学式: C₁₃H₂₀N₂O₃
• mdl: MFCD08051143
• 分子量: 252.313
• InChiKey: LKMRARVTTYCHLU-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：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-乙基尿烷 、 3,4-二甲氧基苯乙胺 在 zirconium(IV) tert-butoxide 作用下， 反应 0.25h， 以94%的产率得到1-(3,4-dimethoxyphenethyl)-3-ethylurea
  参考文献：
  名称：

  Synthesis of Carbamates and Ureas Using Zr(IV)-Catalyzed Exchange Processes

  摘要：

  Zirconium(IV)-catalyzed exchange processes have been developed to prepare both carbamates and ureas from dialkyl carbonates and carbamates employing 2-hydroxypyridine (HYP) and 4-methyl-2-hydroxyquinoline (MeHYQ) as catalytic additives, respectively. A microwave acceleration effect was observed in Zr(IV)-catalyzed carbamate-urea exchange.

  DOI：

  10.1021/ol0702728

文献信息

• Synthesis of Carbamates and Ureas Using Zr(IV)-Catalyzed Exchange Processes
  作者：Chong Han、Porco

  DOI：10.1021/ol0702728

  日期：2007.4.1

  Zirconium(IV)-catalyzed exchange processes have been developed to prepare both carbamates and ureas from dialkyl carbonates and carbamates employing 2-hydroxypyridine (HYP) and 4-methyl-2-hydroxyquinoline (MeHYQ) as catalytic additives, respectively. A microwave acceleration effect was observed in Zr(IV)-catalyzed carbamate-urea exchange.