1-(2-(N-(2-(2,4,4-trimethylpentan-2-ylcarbamoyl)propan-2-yl)-N-ethylcarbamoyl)phenyl)-3-(4-methoxyphenyl)urea | 1372799-00-2

• 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-(2-(N-(2-(2,4,4-trimethylpentan-2-ylcarbamoyl)propan-2-yl)-N-ethylcarbamoyl)phenyl)-3-(4-methoxyphenyl)urea
• 英文别名: N-ethyl-2-[(4-methoxyphenyl)carbamoylamino]-N-[2-methyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)propan-2-yl]benzamide
• CAS: 1372799-00-2
• 化学式: C₂₉H₄₂N₄O₄
• 分子量: 510.677
• InChiKey: KTOMMUILUBLOHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  99.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻氨基苯甲酸 反应 12.5h， 生成 1-(2-(N-(2-(2,4,4-trimethylpentan-2-ylcarbamoyl)propan-2-yl)-N-ethylcarbamoyl)phenyl)-3-(4-methoxyphenyl)urea
  参考文献：
  名称：

  Efficient Synthesis of Urea Derivatives via a Sequential One-Pot Nucleophilic Addition/Ugi Five-Component Reaction Under Solvent-Free Conditions

  摘要：

  Urea polyfunctional derivatives were successfully synthesized via a one-pot, five-component nucleophilic addition/Ugi reaction sequence. Simplicity, solvent-free conditions, and good yields of products are advantages of this method.

  DOI：

  10.1080/00397911.2011.553697

文献信息

• Efficient Synthesis of Urea Derivatives via a Sequential One-Pot Nucleophilic Addition/Ugi Five-Component Reaction Under Solvent-Free Conditions
  作者：Javad Azizian、Khadijeh Yadollahzadeh、Hasan Tahermansouri、Davood Chobfrosh Khoei、Akram Sadat Delbari

  DOI：10.1080/00397911.2011.553697

  日期：2012.7.15

  Urea polyfunctional derivatives were successfully synthesized via a one-pot, five-component nucleophilic addition/Ugi reaction sequence. Simplicity, solvent-free conditions, and good yields of products are advantages of this method.