1,3-二噁戊环-2-硫酮,4-(氯甲基)- | 89602-82-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 中文名称: 1,3-二噁戊环-2-硫酮,4-(氯甲基)-
• 英文名称: 4-(chloromethyl)-1,3-dioxolane-2-thione
• CAS: 89602-82-4
• 化学式: C₄H₅ClO₂S
• mdl: MFCD18805885
• 分子量: 152.601
• InChiKey: BZDBKTJNLRWULW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-二噁戊环-2-硫酮,4-(氯甲基)- 在 三氟化溴 作用下， 以 氯仿 为溶剂， 生成 4-(氯甲基)-1,3-二氧戊环-2-酮 、 2,2-difluoro-4-(chloromethyl)-1,3-dioxolane
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n
• 作为产物：
  描述：

  硫光气 、 3-氯-1,2-丙二醇 在 4-二甲氨基吡啶 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以80%的产率得到1,3-二噁戊环-2-硫酮,4-(氯甲基)-
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n

文献信息

• Constructing the OCF₂O Moiety Using BrF₃
  作者：Youlia Hagooly、Shlomo Rozen

  DOI：10.1021/jo801116n

  日期：2008.9.1

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.