(Z)-1-phenyl-3-(propen-1-yl)urea

• 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: (Z)-1-phenyl-3-(propen-1-yl)urea
• 英文别名: 1-phenyl-3-[(Z)-prop-1-enyl]urea
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: AOPCHGICXWFIQX-WAPJZHGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-苯基-3-(丙烯-2-基)脲 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 (Z)-1-phenyl-3-(propen-1-yl)urea 、 (E)-1-phenyl-3-(propen-1-yl)urea
  参考文献：
  名称：

  Reactivity of Grubbs' Catalysts with Urea- and Amide-Substituted Olefins. Metathesis and Isomerization

  摘要：

  The reactions of a series of urea- and amide-substituted olefins with Grubbs' catalysts are presented. Depending on the substrate's nature, the formation of either cross-metathesis or isomerization products is observed. To favor the cross-metathesis products, the reactions have been carried out using a wide range of experimental conditions. Upon addition of monophenyl phosphoester to these reactions, the isomerization of the olefins is completely suppressed and the cross-metathesis products are obtained in up to 60% yield.

  DOI：

  10.1021/jo051120y

文献信息

• Reactivity of Grubbs' Catalysts with Urea- and Amide-Substituted Olefins. Metathesis and Isomerization
  作者：Pilar Formentín、Nélida Gimeno、Joachim H. G. Steinke、Ramón Vilar

  DOI：10.1021/jo051120y

  日期：2005.9.1

  The reactions of a series of urea- and amide-substituted olefins with Grubbs' catalysts are presented. Depending on the substrate's nature, the formation of either cross-metathesis or isomerization products is observed. To favor the cross-metathesis products, the reactions have been carried out using a wide range of experimental conditions. Upon addition of monophenyl phosphoester to these reactions, the isomerization of the olefins is completely suppressed and the cross-metathesis products are obtained in up to 60% yield.