1-[(1R,2R)-2-aminocyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea | 1257216-06-0

• 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-[(1R,2R)-2-aminocyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
• CAS: 1257216-06-0
• 化学式: C₁₉H₃₁N₃O
• 分子量: 317.475
• InChiKey: CYFYBPVETKALLE-IAGOWNOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one 、 2,6-diisopropylaniline hydrochloric acid salt 在 potassium hydroxide 作用下， 以 二乙二醇二甲醚 、 乙醚 、 水 为溶剂， 反应 1.0h， 以64%的产率得到1-[(1R,2R)-2-aminocyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
  参考文献：
  名称：

  Synthesis of Monoacylated Derivatives of 1,2- Cyclohexanediamine. Evaluation of their Catalytic Activity in the Preparation of Wieland−Miescher Ketone

  摘要：

  Ureas, carbamoyl derivatives, amides, and sulfonamides can be easily prepared from the strained (R,R)-cylohexanediamine urea (1) in high yield, leaving a free amino group that shows good catalytic activity in intramolecular aldol condensations. The preparation of Wieland-Miescher ketone has been studied with these catalysts.

  DOI：

  10.1021/jo101723v

文献信息

• Synthesis of Monoacylated Derivatives of 1,2- Cyclohexanediamine. Evaluation of their Catalytic Activity in the Preparation of Wieland−Miescher Ketone
  作者：Ángel L. Fuentes de Arriba、David G. Seisdedos、Luis Simón、Victoria Alcázar、César Raposo、Joaquín R. Morán

  DOI：10.1021/jo101723v

  日期：2010.12.3

  Ureas, carbamoyl derivatives, amides, and sulfonamides can be easily prepared from the strained (R,R)-cylohexanediamine urea (1) in high yield, leaving a free amino group that shows good catalytic activity in intramolecular aldol condensations. The preparation of Wieland-Miescher ketone has been studied with these catalysts.