1-[(6-chloro-2,2-difluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)methyl]piperidine-2,6-dione | 1563062-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 1-[(6-chloro-2,2-difluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)methyl]piperidine-2,6-dione
• 英文别名: 1-[(6-Chloro-2,2-difluoro-3,4-dihydrothiochromen-4-yl)methyl]piperidine-2,6-dione；1-[(6-chloro-2,2-difluoro-3,4-dihydrothiochromen-4-yl)methyl]piperidine-2,6-dione
• CAS: 1563062-86-1
• 化学式: C₁₅H₁₄ClF₂NO₂S
• 分子量: 345.797
• InChiKey: KYIFQIJDTXUQIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-chlorophenylthiodifluoroacetic acid chloride 以 1,4-二氧六环 、 二氯甲烷 、 环己烷 、 乙酸乙酯 为溶剂， 反应 18.5h， 生成 1-[(6-chloro-2,2-difluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)methyl]piperidine-2,6-dione
  参考文献：
  名称：

  A Convergent Route to Geminal Difluorosulfides and to Functionalized Difluorothiochromans, a New Family of Organofluorine Compounds

  摘要：

  The synthesis of the novel O-ethyl-S-(4-chlorophenylthio)difluoromethyl xanthate and its radical addition to various terminal alkenes are described. The geminal difluorosulfide adducts undergo closure onto the aromatic ring by further treatment with peroxide to furnish difluorothiochromans, a new family of organofluorine compounds.

  DOI：

  10.1021/ol5002939

文献信息

• A Convergent Route to Geminal Difluorosulfides and to Functionalized Difluorothiochromans, a New Family of Organofluorine Compounds
  作者：Pierre Salomon、Samir Z. Zard

  DOI：10.1021/ol5002939

  日期：2014.3.7

  The synthesis of the novel O-ethyl-S-(4-chlorophenylthio)difluoromethyl xanthate and its radical addition to various terminal alkenes are described. The geminal difluorosulfide adducts undergo closure onto the aromatic ring by further treatment with peroxide to furnish difluorothiochromans, a new family of organofluorine compounds.