7-Chloro-4-methylideneheptan-3-one | 1238587-95-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-Chloro-4-methylideneheptan-3-one
• CAS: 1238587-95-5
• 化学式: C₈H₁₃ClO
• mdl: MFCD19236726
• 分子量: 160.644
• InChiKey: ZYDZZLNJRDKIHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-Chloro-4-methylideneheptan-3-one 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到(1Z)-1-pyrrolidin-2-ylidenebutan-2-one
  参考文献：
  名称：

  One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN₃: Rapid Access to Polycyclic Alkaloids

  摘要：

  A new one-pot procedure for the preparation of aminoenone from chloroalkyl enone and sodium azide was demonstrated. The structure of the presumed triazoline intermediate in this process was confirmed by X-ray analysis for the first time. As the application of this methodology, the synthesis of polycyclic alkaloid hexahydroapoerysopine (1a) was achieved through an efficient synthetic route.

  DOI：

  10.1021/jo101226r
• 作为产物：
  描述：

  7-hydroxy-4-methylideneheptan-3-one 在 四氯化碳 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-Chloro-4-methylideneheptan-3-one
  参考文献：
  名称：

  One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN₃: Rapid Access to Polycyclic Alkaloids

  摘要：

  A new one-pot procedure for the preparation of aminoenone from chloroalkyl enone and sodium azide was demonstrated. The structure of the presumed triazoline intermediate in this process was confirmed by X-ray analysis for the first time. As the application of this methodology, the synthesis of polycyclic alkaloid hexahydroapoerysopine (1a) was achieved through an efficient synthetic route.

  DOI：

  10.1021/jo101226r