Tert-butyl 2-[[2-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate | 1323197-80-3

• 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: Tert-butyl 2-[[2-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
• 英文别名: tert-butyl 2-[[2-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
• CAS: 1323197-80-3
• 化学式: C₁₈H₂₅N₃O₄
• 分子量: 347.414
• InChiKey: VZIIVTXLVFWVHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-[[2-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate 在 盐酸 作用下， 以 水 为溶剂， 以1.73 g的产率得到N'-{2-[(methylamino)carbonyl]phenyl}-prolinamide hydrochloride
  参考文献：
  名称：

  Synthesis of condensed tetrahydroimidazo[1,2-a]quinazoline-1,5-dione derivatives

  摘要：

  Heating of N-{2-[(R-amino)carbonyl]phenyl}prolinamides in triethyl orthoformate solution was found to give 6-R-5,6,6a,8,9,10,10a,11-octahydropyrrolo[1',2':3,4]imidazo[1,2-a]quinazoline-5,11-diones. Similar reaction of N-{2-[(R-amino)carbonyl]phenyl}thiazolidine-4-carboxamides afforded 6-R-5.6,6a,10,10a,11-hexahydrothiazolo[3',4':3,4]imidazo[1,2-a]quinazoline-5,11-diones. The relative configuration of C-6a and C-10a centres of the tetracyclic compounds obtained was assigned as trans on the basis of X-ray crystallographic study. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.096
• 作为产物：
  描述：

  N-tert-butoxycarbonyl-proline 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.5h， 生成 Tert-butyl 2-[[2-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Synthesis of condensed tetrahydroimidazo[1,2-a]quinazoline-1,5-dione derivatives

  摘要：

  Heating of N-{2-[(R-amino)carbonyl]phenyl}prolinamides in triethyl orthoformate solution was found to give 6-R-5,6,6a,8,9,10,10a,11-octahydropyrrolo[1',2':3,4]imidazo[1,2-a]quinazoline-5,11-diones. Similar reaction of N-{2-[(R-amino)carbonyl]phenyl}thiazolidine-4-carboxamides afforded 6-R-5.6,6a,10,10a,11-hexahydrothiazolo[3',4':3,4]imidazo[1,2-a]quinazoline-5,11-diones. The relative configuration of C-6a and C-10a centres of the tetracyclic compounds obtained was assigned as trans on the basis of X-ray crystallographic study. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.096