1-bromo-1-[difluoro(methylsulfonyl)methyl]decane | 881744-36-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 1-bromo-1-[difluoro(methylsulfonyl)methyl]decane
• 英文别名: 2-bromo-1,1-difluoro-1-methylsulfonylundecane
• CAS: 881744-36-1
• 化学式: C₁₂H₂₃BrF₂O₂S
• 分子量: 349.28
• InChiKey: CNAPAKNHSRWPHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-bromo-1-[difluoro(methylsulfonyl)methyl]decane 在 锌 作用下， 以 乙醇 为溶剂， 生成 1,1-difluoroundec-1-ene
  参考文献：
  名称：

  From ketones, aldehydes or alkyl halides to terminal 1,1-difluoroolefins using BrF3

  摘要：

  Terminal difluoromethylenes were prepared by two different routes: (a) by treating ketones and aldehydes with bis(methylthio)methane, producing 2-alkyl-1,1-bis(methylthio)alkene (2) (b) reacting alkyl halides with tris(methylthio)methane forming 1-alkyl-1,1,1-tris(methylthio)alkane derivatives (7). The reaction of either 2 or 7 with BrF3, followed by oxidation with (HOFCH3CN)-C-. gave the difluorosulfonyl derivatives 4. Consecutive treatment with Zn led to the target difluoroolefins (5) in overall yields of 60-75%. (c) 2005 Elsevier B.V All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.06.003
• 作为产物：
  描述：

  1,1,1-tris(methylthio)undecane 在 三氟化溴 、 HOF* CH₃CN 作用下， 以 二氯甲烷 、 一氟三氯甲烷 为溶剂， 反应 0.17h， 生成 1-bromo-1-[difluoro(methylsulfonyl)methyl]decane
  参考文献：
  名称：

  From ketones, aldehydes or alkyl halides to terminal 1,1-difluoroolefins using BrF3

  摘要：

  Terminal difluoromethylenes were prepared by two different routes: (a) by treating ketones and aldehydes with bis(methylthio)methane, producing 2-alkyl-1,1-bis(methylthio)alkene (2) (b) reacting alkyl halides with tris(methylthio)methane forming 1-alkyl-1,1,1-tris(methylthio)alkane derivatives (7). The reaction of either 2 or 7 with BrF3, followed by oxidation with (HOFCH3CN)-C-. gave the difluorosulfonyl derivatives 4. Consecutive treatment with Zn led to the target difluoroolefins (5) in overall yields of 60-75%. (c) 2005 Elsevier B.V All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.06.003