methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate | 274923-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
• CAS: 274923-13-6
• 化学式: C₁₂H₂₁NO₃
• 分子量: 227.304
• InChiKey: KMRQGGJQDAVIPS-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate 在 氢氧化钾 、 lithium tri-t-butoxyaluminum hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 生成 (-)-8-epihalosaline
  参考文献：
  名称：

  Alkaloids of Andrachne aspera

  摘要：

  Two new 2,6-disubstituted piperidine alkaloids andrachcinine (1) and andrachcinidine (5) have been isolated from Andrachne aspera along with andrachamine and andrachcine (2). The absolute configurations of 1, 2, and 5 were established. (+)-Allosedridine and the new alkaloids (-)-8-epi-8-ethylnorlobelol I (4) and (-)-8-epihalosaline (7) were also identified as constituents of A. aspera. Structures were determined by MS and NMR techniques and by chemical conversions.

  DOI：

  10.1021/np9905214
• 作为产物：
  描述：

  氯甲酸甲酯 、 (S)-1-Piperidin-2-yl-pentan-2-one 生成 methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Alkaloids of Andrachne aspera

  摘要：

  Two new 2,6-disubstituted piperidine alkaloids andrachcinine (1) and andrachcinidine (5) have been isolated from Andrachne aspera along with andrachamine and andrachcine (2). The absolute configurations of 1, 2, and 5 were established. (+)-Allosedridine and the new alkaloids (-)-8-epi-8-ethylnorlobelol I (4) and (-)-8-epihalosaline (7) were also identified as constituents of A. aspera. Structures were determined by MS and NMR techniques and by chemical conversions.

  DOI：

  10.1021/np9905214

文献信息

• Alkaloids of <i>Andrachne aspera</i>
  作者：Sibel Mill、Claude Hootelé

  DOI：10.1021/np9905214

  日期：2000.6.1

  Two new 2,6-disubstituted piperidine alkaloids andrachcinine (1) and andrachcinidine (5) have been isolated from Andrachne aspera along with andrachamine and andrachcine (2). The absolute configurations of 1, 2, and 5 were established. (+)-Allosedridine and the new alkaloids (-)-8-epi-8-ethylnorlobelol I (4) and (-)-8-epihalosaline (7) were also identified as constituents of A. aspera. Structures were determined by MS and NMR techniques and by chemical conversions.