(1S)-5-(2-methylsulfanylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrrolo[1,2-c]imidazol-3-one | 1265146-12-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (1S)-5-(2-methylsulfanylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrrolo[1,2-c]imidazol-3-one
• CAS: 1265146-12-0
• 化学式: C₂₃H₂₄N₂O₂S
• 分子量: 392.522
• InChiKey: PAMCXWMBWHLGAM-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  68.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  di-tert-butyl ((2S,6S,7S)-1-(4-(benzyloxy)phenyl)-5-hydroxy-7-methylnon-3-yne-2,6-diyl)dicarbamate 在 sodium methylate 、 platinum(II) chloride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 为溶剂， 反应 24.5h， 生成 (1S)-5-(2-methylsulfanylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrrolo[1,2-c]imidazol-3-one
  参考文献：
  名称：

  Pyrrole-Based Scaffolds for Turn Mimics

  摘要：

  Two amino acid derived synthons were combined to give homopropargylic amines 2. Platinum dichloride was used to cyclize these intermediates into pyrroles 3 which collapsed to the target secondary structure mimics 1 on treatment with base. Side chains of these compounds overlay with an idealized type 1 beta-turn and with an inverse gamma-turn.

  DOI：

  10.1021/ol103022m

文献信息

• Pyrrole-Based Scaffolds for Turn Mimics
  作者：Eunhwa Ko、Kevin Burgess

  DOI：10.1021/ol103022m

  日期：2011.3.4

  Two amino acid derived synthons were combined to give homopropargylic amines 2. Platinum dichloride was used to cyclize these intermediates into pyrroles 3 which collapsed to the target secondary structure mimics 1 on treatment with base. Side chains of these compounds overlay with an idealized type 1 beta-turn and with an inverse gamma-turn.