3S-1-Diazo-2-oxo-3-N-(benzyloxycarbonyl)amino-4-phenylthio butane | 168899-29-4

• 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: 3S-1-Diazo-2-oxo-3-N-(benzyloxycarbonyl)amino-4-phenylthio butane
• 英文别名: benzyl N-[(2S)-4-diazo-3-oxo-1-phenylsulfanylbutan-2-yl]carbamate
• CAS: 168899-29-4
• 化学式: C₁₈H₁₇N₃O₃S
• 分子量: 355.417
• InChiKey: GJSWCSXSMOEEDK-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• PROCESS FOR THE PURIFICATION OR ISOLATION OF (2S, 3R)-1-HALO-2-HYDROXY-3-(PROTECTED AMINO)-4-PHENYLTHIOBUTANES OR OPTICAL ANTIPODES THEREOF
  申请人：KANEKA CORPORATION

  公开号：EP0972760A1

  公开（公告）日：2000-01-19

  The present invention has for its object to provide a commercially useful, expedient and efficient method for purification and isolation of an N-protected (2S,3R)-1-halo-2-hydroxy-3-amino-4-phenylthiobutane (1) or its enantiomer, which is capable of removing the various contaminants, particularly said byproducts, whereby the problem of instability of the compound (1) or its enantiomer can be overcome and a high product yield can be insured. The present invention relates to a method of purifying and isolating an N-protected (2S,3R)-1-halo-2-hydroxy-3-amino-4-phenylthiobutane (1): (wherein X represents a halogen atom; one of P1 and P2 represents a hydrogen atom and the other represents an amino-protecting group, or P1 and P2 taken together represents an amino-protecting group) or its enantiomer, which comprises using an aromatic hydrocarbon solvent to remove impurities occurring in said compound (1) or impurities occurring in said enantiomer from said compound (1) containing impurities or its enantiomer containing impurities and isolate said compound (1) or said enantiomer as crystals.

  本发明的目的是提供一种商业上有用的、方便的和有效的方法，用于纯化和分离N-保护的(2S,3R)-1-卤-2-羟基-3-氨基-4-苯硫基丁烷(1)或其对映体，该方法能够除去各种杂质，特别是所述副产物，从而克服化合物(1)或其对映体不稳定的问题，并确保高产率。 本发明涉及一种纯化和分离 N 保护的 (2S,3R)-1-卤代-2-羟基-3-氨基-4-苯硫基丁烷 (1) 的方法： (其中X代表卤素原子；P1和P2中的一个代表氢原子，另一个代表氨基保护基，或P1和P2合在一起代表氨基保护基）或其对映体，该方法包括使用芳香烃溶剂从含有杂质的所述化合物(1)或含有杂质的其对映体中除去所述化合物(1)中出现的杂质或所述对映体中出现的杂质，并以晶体形式分离所述化合物(1)或所述对映体。
• US6107511A
  申请人：——

  公开号：US6107511A

  公开（公告）日：2000-08-22