tert-butyl (S)-2-(((1R,2R,3R)-2-((S)-2-((benzyloxy)carbonyl)pyrrolidine-1-carbonyl)-3-(methoxycarbonyl)cyclopropyl)carbamoyl)pyrrolidine-1-carboxylate | 1019859-12-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (S)-2-(((1R,2R,3R)-2-((S)-2-((benzyloxy)carbonyl)pyrrolidine-1-carbonyl)-3-(methoxycarbonyl)cyclopropyl)carbamoyl)pyrrolidine-1-carboxylate
• CAS: 1019859-12-1
• 化学式: C₂₈H₃₇N₃O₈
• 分子量: 543.617
• InChiKey: UPCHCANIBYHEKK-VNXMGFANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  131.55
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-2-(((1R,2R,3R)-2-((S)-2-((benzyloxy)carbonyl)pyrrolidine-1-carbonyl)-3-(methoxycarbonyl)cyclopropyl)carbamoyl)pyrrolidine-1-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Short α/β-Peptides as Catalysts for Intra- and Intermolecular Aldol Reactions

  摘要：

  Short alpha/beta-peptides, containing conformationally restricted cis-beta-aminocyclopropylcarboxylic acid units as turn-inducing elements, have been found to be efficient catalysts for inter- and intramolecular aldol reactions. The tripeptide H-(L)-Pro-triangle-(L)-Pro-OH was identified to perform especially well in homogeneous and heterogeneous aqueous solutions as well as in organic solvents.

  DOI：

  10.1021/jo800168h
• 作为产物：
  描述：

  (1R,2R,3R)-2-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-3-(methoxycarbonyl)cyclopropane-1-carboxylic acid 、 L-脯氨酸苄酯盐酸盐 在 TEA 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以70%的产率得到tert-butyl (S)-2-(((1R,2R,3R)-2-((S)-2-((benzyloxy)carbonyl)pyrrolidine-1-carbonyl)-3-(methoxycarbonyl)cyclopropyl)carbamoyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Short α/β-Peptides as Catalysts for Intra- and Intermolecular Aldol Reactions

  摘要：

  Short alpha/beta-peptides, containing conformationally restricted cis-beta-aminocyclopropylcarboxylic acid units as turn-inducing elements, have been found to be efficient catalysts for inter- and intramolecular aldol reactions. The tripeptide H-(L)-Pro-triangle-(L)-Pro-OH was identified to perform especially well in homogeneous and heterogeneous aqueous solutions as well as in organic solvents.

  DOI：

  10.1021/jo800168h