benzyl 3-chloroazepane-1-carboxylate | 1011527-45-9

• 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 3-chloroazepane-1-carboxylate
• 英文别名: Benzyl 3-chloroazepane-1-carboxylate
• CAS: 1011527-45-9
• 化学式: C₁₄H₁₈ClNO₂
• 分子量: 267.755
• InChiKey: GPPBHJVKNLLMJL-UHFFFAOYSA-N

物化性质

• 沸点：
  394.5±42.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-benzyloxycarbonyl-5-hexenylamine 在 双(乙腈)氯化钯(II) 、 N-氯代丁二酰亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 36.0h， 以64%的产率得到hexahydro-3H-oxazolo<3,4-a>pyridin-3-one
  参考文献：
  名称：

  Palladium-Catalyzed Intramolecular Chloroamination of Alkenes

  摘要：

  A mild and facile Pd-catalyzed intramolecular chloroamination of unactivated alkenes has been described. This reaction takes place at room temperature and is tolerant of synthetically useful acid-sensitive functional groups. Generally high exo-selectivities are observed in the formation of a variety of 5- and 6-membered rings. This system is unique in its ability to tolerate multidentate ligands on palladium, which opens up the possibility of controlling the absolute sense of induction using a chiral ligand.

  DOI：

  10.1021/ol702922c

文献信息

• Palladium-Catalyzed Intramolecular Chloroamination of Alkenes
  作者：Forrest E. Michael、Paul A. Sibbald、Brian M. Cochran

  DOI：10.1021/ol702922c

  日期：2008.3.1

  A mild and facile Pd-catalyzed intramolecular chloroamination of unactivated alkenes has been described. This reaction takes place at room temperature and is tolerant of synthetically useful acid-sensitive functional groups. Generally high exo-selectivities are observed in the formation of a variety of 5- and 6-membered rings. This system is unique in its ability to tolerate multidentate ligands on palladium, which opens up the possibility of controlling the absolute sense of induction using a chiral ligand.