1-Pyrrolidin-2-yl-heptan-2-one | 169622-70-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Pyrrolidin-2-yl-heptan-2-one
• 英文别名: 1-Pyrrolidin-2-ylheptan-2-one
• CAS: 169622-70-2
• 化学式: C₁₁H₂₁NO
• 分子量: 183.294
• InChiKey: VVBVDDSSHXXSER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氯甲酸苄酯 、 1-Pyrrolidin-2-yl-heptan-2-one 在 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以86%的产率得到N-benzyloxycarbonyl-2-(2-oxoheptyl)pyrrolidine
  参考文献：
  名称：

  Short syntheses of (±)-tetraponerines-5 and -6. the structures of tetraponerines-1 and -2, and a revision of the structures of (+)-tetraponerines-5 and -6

  摘要：

  The structures and absolute configurations of (+)-tetraponerines-5 and -6 [(+)-T-5 and (+)-T-6], from the poison gland of the ant Tetraponera sp., were reassigned as 7 and 8, respectively, on the basis of extensive two-dimensional NMR and CD studies. These results led to structure proposals 9 for T-1 and 10 for T-2, the two minor alkaloids of the venom. The structures and relative configurations of T-5 and T-6 were subsequently confirmed by short stereoselective syntheses.

  DOI：

  10.1016/0040-4020(95)00667-w
• 作为产物：
  描述：

  3,4-二氢-2H-吡咯 、 3-氧代辛酸 以 水 为溶剂， 生成 1-Pyrrolidin-2-yl-heptan-2-one
  参考文献：
  名称：

  Short syntheses of (±)-tetraponerines-5 and -6. the structures of tetraponerines-1 and -2, and a revision of the structures of (+)-tetraponerines-5 and -6

  摘要：

  The structures and absolute configurations of (+)-tetraponerines-5 and -6 [(+)-T-5 and (+)-T-6], from the poison gland of the ant Tetraponera sp., were reassigned as 7 and 8, respectively, on the basis of extensive two-dimensional NMR and CD studies. These results led to structure proposals 9 for T-1 and 10 for T-2, the two minor alkaloids of the venom. The structures and relative configurations of T-5 and T-6 were subsequently confirmed by short stereoselective syntheses.

  DOI：

  10.1016/0040-4020(95)00667-w

文献信息

• Short syntheses of (±)-tetraponerines-5 and -6. the structures of tetraponerines-1 and -2, and a revision of the structures of (+)-tetraponerines-5 and -6
  作者：Christine Devijver、Pascale Macours、Jean-Claude Braekman、Désiré Daloze、Jacques M. Pasteels

  DOI：10.1016/0040-4020(95)00667-w

  日期：1995.10

  The structures and absolute configurations of (+)-tetraponerines-5 and -6 [(+)-T-5 and (+)-T-6], from the poison gland of the ant Tetraponera sp., were reassigned as 7 and 8, respectively, on the basis of extensive two-dimensional NMR and CD studies. These results led to structure proposals 9 for T-1 and 10 for T-2, the two minor alkaloids of the venom. The structures and relative configurations of T-5 and T-6 were subsequently confirmed by short stereoselective syntheses.