(5S)-2-[(S)-1-benzyl-2-hydroxyethylimino]-3-[(S)-1-phenylethyl]-1,3-diazabicyclo[3.3.0]octane

• 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: (5S)-2-[(S)-1-benzyl-2-hydroxyethylimino]-3-[(S)-1-phenylethyl]-1,3-diazabicyclo[3.3.0]octane
• 英文别名: (2S)-2-[[(7aS)-2-[(1S)-1-phenylethyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-ylidene]amino]-3-phenylpropan-1-ol
• 化学式: C₂₃H₂₉N₃O
• 分子量: 363.503
• InChiKey: AIJFROPWTPEZEX-NYVOZVTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  39.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (S)-1-phenylethyl((S)-pyrrolidin-2-ylmethyl)amine 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 13.0h， 生成 (5S)-2-[(S)-1-benzyl-2-hydroxyethylimino]-3-[(S)-1-phenylethyl]-1,3-diazabicyclo[3.3.0]octane
  参考文献：
  名称：

  Modified Guanidines as Potential Chiral Superbases. 1. Preparation of 1,3-Disubstituted 2-Iminoimidazolidines and the Related Guanidines through Chloroamidine Derivatives

  摘要：

  Modified guanidines were explored as potential chiral superbases. Thus, chiral 1,3-dimethyl-2-iminoimidazolidines with or without 4,5-diphenyl groups, their guanidinium salts, and the 2-iminoimidazolidines with (S)-1-phenylethyl groups on the ring nitrogens were prepared by treatment of 2-chloroimidazolinium chlorides with appropriate amines. Bicyclic guanidines were also prepared from a prolinamide using a similar procedure.

  DOI：

  10.1021/jo000744v

文献信息

• Modified Guanidines as Potential Chiral Superbases. 1. Preparation of 1,3-Disubstituted 2-Iminoimidazolidines and the Related Guanidines through Chloroamidine Derivatives
  作者：Toshio Isobe、Keiko Fukuda、Tsutomu Ishikawa

  DOI：10.1021/jo000744v

  日期：2000.11.1

  Modified guanidines were explored as potential chiral superbases. Thus, chiral 1,3-dimethyl-2-iminoimidazolidines with or without 4,5-diphenyl groups, their guanidinium salts, and the 2-iminoimidazolidines with (S)-1-phenylethyl groups on the ring nitrogens were prepared by treatment of 2-chloroimidazolinium chlorides with appropriate amines. Bicyclic guanidines were also prepared from a prolinamide using a similar procedure.