2-(6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-2-oxo-hexyl)-malonic acid dimethyl ester | 134935-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-2-oxo-hexyl)-malonic acid dimethyl ester
• 英文别名: Dimethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-6-(phenylmethoxycarbonylamino)hexyl]propanedioate
• CAS: 134935-89-0
• 化学式: C₂₄H₃₄N₂O₉
• 分子量: 494.542
• InChiKey: KKRIGHSWFXUVTH-UHFFFAOYSA-N

物化性质

• 沸点：
  643.3±55.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  35
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-2-oxo-hexyl)-malonic acid dimethyl ester 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 sodium methylate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 2-(3-tert-Butoxycarbonylamino-piperidin-2-ylmethyl)-3-(1H-indol-3-yl)-propionic acid
  参考文献：
  名称：

  A facile synthesis of 8-amino-3-oxoindolizidine derivatives as conformationally restricted ornithyl pseudodipeptides

  摘要：

  One pot procedure for the synthesis of 8-amino-3-oxoindolizidines from Z-delta-protected ornithyl ketomethylene pseudodipeptide derivatives is described. This procedure, involving hydrogenolysis of the Z-group, intramolecular reductive amination and gamma-lactamization, provides readily access to a variety of 3-oxoindolizidines of defined stereochemistry at C-8 and C-8a.

  DOI：

  10.1016/s0040-4039(00)74495-9

文献信息

• A facile synthesis of 8-amino-3-oxoindolizidine derivatives as conformationally restricted ornithyl pseudodipeptides
  作者：I. Gómez-Monterrey、M.J. Domínguez、R. González-Muñiz、J.R. Harto、M.T. García-López

  DOI：10.1016/s0040-4039(00)74495-9

  日期：1991.2

  One pot procedure for the synthesis of 8-amino-3-oxoindolizidines from Z-delta-protected ornithyl ketomethylene pseudodipeptide derivatives is described. This procedure, involving hydrogenolysis of the Z-group, intramolecular reductive amination and gamma-lactamization, provides readily access to a variety of 3-oxoindolizidines of defined stereochemistry at C-8 and C-8a.