(2S,4R,7R,9R)-1-((benzyloxy)carbonyl)-7-(methoxycarbonyl)-7-(9-phenyl-9H-fluoren-9-ylamino)-octahydro-1H-indole-2-carboxylic acid | 773894-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (2S,4R,7R,9R)-1-((benzyloxy)carbonyl)-7-(methoxycarbonyl)-7-(9-phenyl-9H-fluoren-9-ylamino)-octahydro-1H-indole-2-carboxylic acid
• 英文别名: (2S,3aR,6R,7aR)-6-methoxycarbonyl-6-[(9-phenylfluoren-9-yl)amino]-1-phenylmethoxycarbonyl-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylic acid
• CAS: 773894-68-1
• 化学式: C₃₈H₃₆N₂O₆
• 分子量: 616.714
• InChiKey: DTCDOXPCICIRKO-XWBZGWEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2S,4R,7R,9R)-1-((benzyloxy)carbonyl)-7-(methoxycarbonyl)-7-(9-phenyl-9H-fluoren-9-ylamino)-octahydro-1H-indole-2-carboxylic acid 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.0h， 生成
  参考文献：
  名称：

  Synthesis of a Bis-amino Acid that Creates a Sharp Turn

  摘要：

  The synthesis of a new bis-amino acid 1 is presented. This monomer is designed to create a tightly curved structure when assembled into oligomers. The monomer is demonstrated to couple to the previously developed monomer 2 through pairs of amide bonds to create a strongly bent spiro-ladder oligomer. The structure of oligomer 3 was determined in aqueous solution using two-dimensional NMR.

  DOI：

  10.1021/ol048585f
• 作为产物：
  描述：

  (2S,4R,7R,9R)-1-benzyl-2,7-dimethyl-7-azidooctahydroindole-1,2,7-tricarboxylate 在 lithium hydroxide 、 lead(II) nitrate 、 三乙胺 、 锌 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 44.75h， 生成 (2S,4R,7R,9R)-1-((benzyloxy)carbonyl)-7-(methoxycarbonyl)-7-(9-phenyl-9H-fluoren-9-ylamino)-octahydro-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Synthesis of a Bis-amino Acid that Creates a Sharp Turn

  摘要：

  The synthesis of a new bis-amino acid 1 is presented. This monomer is designed to create a tightly curved structure when assembled into oligomers. The monomer is demonstrated to couple to the previously developed monomer 2 through pairs of amide bonds to create a strongly bent spiro-ladder oligomer. The structure of oligomer 3 was determined in aqueous solution using two-dimensional NMR.

  DOI：

  10.1021/ol048585f

文献信息

• Synthesis of a Bis-amino Acid that Creates a Sharp Turn
  作者：Stephen A. Habay、Christian E. Schafmeister

  DOI：10.1021/ol048585f

  日期：2004.9.1

  The synthesis of a new bis-amino acid 1 is presented. This monomer is designed to create a tightly curved structure when assembled into oligomers. The monomer is demonstrated to couple to the previously developed monomer 2 through pairs of amide bonds to create a strongly bent spiro-ladder oligomer. The structure of oligomer 3 was determined in aqueous solution using two-dimensional NMR.