(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-((S)-2-amino-3-methoxy-3-oxopropyl)phenyl)propanoic acid | 1011302-63-8

• 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: (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-((S)-2-amino-3-methoxy-3-oxopropyl)phenyl)propanoic acid
• CAS: 1011302-63-8
• 化学式: C₂₈H₂₈N₂O₆
• 分子量: 488.54
• InChiKey: GTOLIFLSCGSAQS-DQEYMECFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  127.95
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-((S)-2-amino-3-methoxy-3-oxopropyl)phenyl)propanoic acid 在 N-乙基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以115 mg的产率得到2S,5S-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-1,2,3,4,5,6-hexahydrobenzo[d]azocine-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis of bis‐Phenylalanine, A Novel Eight‐Membered Cyclic Dipeptide

  摘要：

  Cyclic eight-membered ring lactams have been prepared which are formally analogs of Phe-Ala or Ala-Phe dipeptides joined together on their side chains. These are termed bis-phenylalanines because they are phenylalanine with respect to both of the residues in which the phenyl ring is shared between the two. The key synthetic step was the Negishi coupling of Boc-beta-I-Ala methyl ester with a suitably protected 2'-I phenylalanine.

  DOI：

  10.1080/00397910701771090
• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-((S)-2-amino-3-methoxy-3-oxopropyl)phenyl)propanoic acid
  参考文献：
  名称：

  Synthesis of bis‐Phenylalanine, A Novel Eight‐Membered Cyclic Dipeptide

  摘要：

  Cyclic eight-membered ring lactams have been prepared which are formally analogs of Phe-Ala or Ala-Phe dipeptides joined together on their side chains. These are termed bis-phenylalanines because they are phenylalanine with respect to both of the residues in which the phenyl ring is shared between the two. The key synthetic step was the Negishi coupling of Boc-beta-I-Ala methyl ester with a suitably protected 2'-I phenylalanine.

  DOI：

  10.1080/00397910701771090