3-(1-Chloroethylidene)-4-ethenyloxolan-2-one | 1189748-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3-(1-Chloroethylidene)-4-ethenyloxolan-2-one
• 英文别名: 3-(1-chloroethylidene)-4-ethenyloxolan-2-one
• CAS: 1189748-24-0
• 化学式: C₈H₉ClO₂
• 分子量: 172.611
• InChiKey: XGSKBJKWCFEVNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-bromobut-2-enyl but-2-ynoate 在 Wilkinson's catalyst 、 1,2-二氯乙烷 作用下， 以66%的产率得到3-(1-Chloroethylidene)-4-ethenyloxolan-2-one
  参考文献：
  名称：

  Rhodium-Catalyzed Activation of C(sp³)−X (X = Cl, Br) Bond: An Intermolecular Halogen Exchange Case

  摘要：

  A RhCl(PPh3)(3)-catalyzed halogen-exchange reaction between allyl and alkyl halides with beta-H atoms was observed. The possible mechanism of the reaction involves oxidative addition and reductive elimination of the C(sp(3))-X bonds, which is not common in organometallic chemistry.

  DOI：

  10.1021/ol101995v

文献信息

• Rhodium-Catalyzed Activation of C(sp³)−X (X = Cl, Br) Bond: An Intermolecular Halogen Exchange Case
  作者：Jianping Wang、Xiaofeng Tong、Xiaomin Xie、Zhaoguo Zhang

  DOI：10.1021/ol101995v

  日期：2010.12.3

  A RhCl(PPh3)(3)-catalyzed halogen-exchange reaction between allyl and alkyl halides with beta-H atoms was observed. The possible mechanism of the reaction involves oxidative addition and reductive elimination of the C(sp(3))-X bonds, which is not common in organometallic chemistry.