N,N,N-tri<2-(N-benzyloxy-N-acetyl-β-alanyl)aminoethyl>amine | 170455-83-1

• 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: N,N,N-tri<2-(N-benzyloxy-N-acetyl-β-alanyl)aminoethyl>amine
• 英文别名: 3-[acetyl(phenylmethoxy)amino]-N-[2-[bis[2-[3-[acetyl(phenylmethoxy)amino]propanoylamino]ethyl]amino]ethyl]propanamide
• CAS: 170455-83-1
• 化学式: C₄₂H₅₇N₇O₉
• 分子量: 803.956
• InChiKey: XQZQIIDZBFENIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  58
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  179
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N,N,N-tri<2-(N-benzyloxy-N-acetyl-β-alanyl)aminoethyl>amine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以100%的产率得到N,N,N-tri<2-(N-hydroxy-N-acetyl-β-alanyl)aminoethyl>amine
  参考文献：
  名称：

  Easy Synthesis of Unnatural Siderophores

  摘要：

  N-Acetyl-N-benzyloxy-beta-alanine was obtained by Michael addition of N-acetyl-N-benzyloxyamine on terbutylacrylate under solvent-free PTC conditions followed by elimination of the terbutyl group. Polyamines were acylated with N-acetyl-N-benzyloxy-beta-alanine. The prepared compounds exhibited a moderate activity against HIV protease.

  DOI：

  10.1080/00397919508011794
• 作为产物：
  描述：

  3-[N-(benzyloxy)acetamido]propionic acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.17h， 生成 N,N,N-tri<2-(N-benzyloxy-N-acetyl-β-alanyl)aminoethyl>amine
  参考文献：
  名称：

  Easy Synthesis of Unnatural Siderophores

  摘要：

  N-Acetyl-N-benzyloxy-beta-alanine was obtained by Michael addition of N-acetyl-N-benzyloxyamine on terbutylacrylate under solvent-free PTC conditions followed by elimination of the terbutyl group. Polyamines were acylated with N-acetyl-N-benzyloxy-beta-alanine. The prepared compounds exhibited a moderate activity against HIV protease.

  DOI：

  10.1080/00397919508011794

文献信息

• Easy Synthesis of Unnatural Siderophores
  作者：J. Zhu、S. Robin、N. Goasdoué、C. Goasdoué、A. Loupy、H. Galons

  DOI：10.1080/00397919508011794

  日期：1995.9

  N-Acetyl-N-benzyloxy-beta-alanine was obtained by Michael addition of N-acetyl-N-benzyloxyamine on terbutylacrylate under solvent-free PTC conditions followed by elimination of the terbutyl group. Polyamines were acylated with N-acetyl-N-benzyloxy-beta-alanine. The prepared compounds exhibited a moderate activity against HIV protease.