benzyl N-[(2-benzyl-1,2-oxazolidin-5-yl)methyl]-N-(2-cyanoethyl)carbamate | 172045-48-6

• 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: benzyl N-[(2-benzyl-1,2-oxazolidin-5-yl)methyl]-N-(2-cyanoethyl)carbamate
• CAS: 172045-48-6
• 化学式: C₂₂H₂₅N₃O₃
• 分子量: 379.459
• InChiKey: PKRJUIHSARKSKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  65.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl N-[(2-benzyl-1,2-oxazolidin-5-yl)methyl]-N-(2-cyanoethyl)carbamate 在 palladium on activated charcoal 氢气 作用下， 生成 2-羟基丁二胺
  参考文献：
  名称：

  Synthesis of 3-hydroxyspermidine: An unusual polyamine constituent of cytotoxic marine compounds

  摘要：

  A short, convergent synthesis of the title compound, (+/-)-N-1-(3-aminopropyl)-1,4-diamino-2-butanol 6, was accomplished in 42% overall yield by means of a highly regioselective 1,3-dipolar nitrone cycloaddition.

  DOI：

  10.1016/0040-4039(95)01976-o
• 作为产物：
  描述：

  3-(烯丙基氨基)丙腈 以 水 、 苯 为溶剂， 生成 benzyl N-[(2-benzyl-1,2-oxazolidin-5-yl)methyl]-N-(2-cyanoethyl)carbamate
  参考文献：
  名称：

  Synthesis of 3-hydroxyspermidine: An unusual polyamine constituent of cytotoxic marine compounds

  摘要：

  A short, convergent synthesis of the title compound, (+/-)-N-1-(3-aminopropyl)-1,4-diamino-2-butanol 6, was accomplished in 42% overall yield by means of a highly regioselective 1,3-dipolar nitrone cycloaddition.

  DOI：

  10.1016/0040-4039(95)01976-o

文献信息

• Synthesis of 3-hydroxyspermidine: An unusual polyamine constituent of cytotoxic marine compounds
  作者：James A. Ponasik、Bruce Ganem

  DOI：10.1016/0040-4039(95)01976-o

  日期：1995.12

  A short, convergent synthesis of the title compound, (+/-)-N-1-(3-aminopropyl)-1,4-diamino-2-butanol 6, was accomplished in 42% overall yield by means of a highly regioselective 1,3-dipolar nitrone cycloaddition.