| 1397644-33-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1397644-33-5
• 化学式: C₂₉H₂₄Cl₃N₂*Cl
• 分子量: 542.335
• InChiKey: PNPNDXQTKOMLJO-DHBRAOIWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (4S,5S)-1,3-bis(3,5-di-tert-butylbenzyl)-4,5-diphenylimidazolidin-2-imine hydrobromide 、 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以56%的产率得到(4S,5S)-2-((4S,5S)-1,3-bis(3,5-bis(trifluoromethyl)benzyl)-4,5-diphenylimidazolidin-2-ylideneamino)-1,3-bis(4-chlorobenzyl)-4,5-diphenyl-4,5-dihydro-1H-imidazol-3-ium chloride
  参考文献：
  名称：

  Pentanidium–Catalyzed Enantioselective α-Hydroxylation of Oxindoles Using Molecular Oxygen

  摘要：

  Pentanidium-catalyzed alpha-hydroxylation of 3-substituted-2-oxindoles using molecular oxygen has been developed with good yields and enantioselectivities. This reaction does not require an additional reductant such as triethyl phosphite, which was typically added to reduce the peroxide intermediate. The reaction was demonstrated to consist of two-steps: an enantioselective formation of hydroperoxide oxindole and a kinetic resolution of the hydroperoxicle oxindole via reduction with enolates generated from the oxindoles.

  DOI：

  10.1021/ol302030v
• 作为产物：
  描述：

  (4S,5S)-1,3-bis(4-chlorobenzyl)-4,5-diphenylimidazolidine-2-one 在 劳森试剂 、 草酰氯 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Pentanidium–Catalyzed Enantioselective α-Hydroxylation of Oxindoles Using Molecular Oxygen

  摘要：

  Pentanidium-catalyzed alpha-hydroxylation of 3-substituted-2-oxindoles using molecular oxygen has been developed with good yields and enantioselectivities. This reaction does not require an additional reductant such as triethyl phosphite, which was typically added to reduce the peroxide intermediate. The reaction was demonstrated to consist of two-steps: an enantioselective formation of hydroperoxide oxindole and a kinetic resolution of the hydroperoxicle oxindole via reduction with enolates generated from the oxindoles.

  DOI：

  10.1021/ol302030v