(S)-3-Methyl-N-{4-[(S)-3-methyl-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyrylamino]-butyl}-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyramide | 849481-15-8

• 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)-3-Methyl-N-{4-[(S)-3-methyl-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyrylamino]-butyl}-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyramide
• 英文别名: (2S)-3-methyl-N-[4-[[(2S)-3-methyl-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butanoyl]amino]butyl]-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butanamide
• CAS: 849481-15-8
• 化学式: C₂₈H₃₈N₄O₄
• 分子量: 494.634
• InChiKey: ZEYHFRTYYKRLEJ-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S,S)-N,N'-bis(valinyl)-1,4-diaminobutane 、 (S)-3-Methyl-N-{4-[(S)-3-methyl-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyrylamino]-butyl}-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyramide 在 氟磺酸甲酯 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 24.0h， 以10%的产率得到
  参考文献：
  名称：

  Optically Active Tropocoronands Having Amino Acid Residues in Linker Chains: Syntheses, Metal Coordination Properties, and Their Abilities as an Asymmetric Catalyst

  摘要：

  Optically active tropocoronands (7) having L-amino acid moieties were synthesized by stepwise and one-pot reactions of tropolone derivatives with amino acid linker chains. The coordination styles of their Ni(II) and Pd(II) complexes and the abilities as an asymmetric catalyst were investigated.

  DOI：

  10.3987/com-04-s(p)35
• 作为产物：
  描述：

  CBZ-L-缬氨酸 在 palladium on activated charcoal 氢气 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 46.0h， 生成 (S)-3-Methyl-N-{4-[(S)-3-methyl-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyrylamino]-butyl}-2-(7-oxo-cyclohepta-1,3,5-trienylamino)-butyramide
  参考文献：
  名称：

  Optically Active Tropocoronands Having Amino Acid Residues in Linker Chains: Syntheses, Metal Coordination Properties, and Their Abilities as an Asymmetric Catalyst

  摘要：

  Optically active tropocoronands (7) having L-amino acid moieties were synthesized by stepwise and one-pot reactions of tropolone derivatives with amino acid linker chains. The coordination styles of their Ni(II) and Pd(II) complexes and the abilities as an asymmetric catalyst were investigated.

  DOI：

  10.3987/com-04-s(p)35

文献信息

• Optically Active Tropocoronands Having Amino Acid Residues in Linker Chains: Syntheses, Metal Coordination Properties, and Their Abilities as an Asymmetric Catalyst
  作者：Ohki Sato、Akira Tanbo

  DOI：10.3987/com-04-s(p)35

  日期：——

  Optically active tropocoronands (7) having L-amino acid moieties were synthesized by stepwise and one-pot reactions of tropolone derivatives with amino acid linker chains. The coordination styles of their Ni(II) and Pd(II) complexes and the abilities as an asymmetric catalyst were investigated.