tert-butyl 2,4-dioxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate | 1567899-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: tert-butyl 2,4-dioxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
• CAS: 1567899-06-2
• 化学式: C₁₂H₁₈N₂O₅
• 分子量: 270.285
• InChiKey: CVIJXTHXUGMIOM-UHFFFAOYSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2,4-dioxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate 、 magnesium,1,3,5-trimethylbenzene-6-ide,bromide 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.33h， 以80%的产率得到1-(tert-butoxycarbonyl)-4-(2,4,6-trimethylbenzamido)piperidine-4-carboxylic acid
  参考文献：
  名称：

  Synthesis of Sterically Hindered N-Acylated Amino Acids from N-Carboxyanhydrides

  摘要：

  Sterically hindered N-acyl, gem-disubstituted amino acids are easily prepared via the addition of organometallic reagents to N-carboxyanhydrides (NCA). The process tolerates a wide variety of functional groups and allows the synthesis of amide products not readily accessible by traditional acylation chemistry. The existence of an isocyanate intermediate was established by in situ IR spectroscopy.

  DOI：

  10.1021/ol500523n
• 作为产物：
  描述：

  三光气 、 N-BOC-4-氨基-4-羧酸哌啶 以 四氢呋喃 为溶剂， 反应 3.0h， 以52%的产率得到tert-butyl 2,4-dioxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
  参考文献：
  名称：

  Synthesis of Sterically Hindered N-Acylated Amino Acids from N-Carboxyanhydrides

  摘要：

  Sterically hindered N-acyl, gem-disubstituted amino acids are easily prepared via the addition of organometallic reagents to N-carboxyanhydrides (NCA). The process tolerates a wide variety of functional groups and allows the synthesis of amide products not readily accessible by traditional acylation chemistry. The existence of an isocyanate intermediate was established by in situ IR spectroscopy.

  DOI：

  10.1021/ol500523n