9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,2-nonadiene | 132673-99-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,2-nonadiene
• 英文别名: 9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoronona-1,2-diene
• CAS: 132673-99-5
• 化学式: C₉H₃ClF₁₂
• 分子量: 374.557
• InChiKey: QXGNLBFFVKOFND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1-氯-1,1,2,2,3,3,4,4,5,5,6,6-十二氟-6-碘己烷 在 ammonium peroxydisulfate 、 sodium dithionite 、 碳酸氢钠 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.0h， 生成 9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,2-nonadiene
  参考文献：
  名称：

  Reaction of perfluoroalkanesulfinates with allyl and propargyl halides. A convenient synthesis of 3-(perfluoroalkyl)prop-1-enes and 3-(perfluoroalkyl)allenes

  摘要：

  The reaction of perfluoroalkanesulfinates, R(f)CF2SO2Na, with allyl and propargyl halides, in the presence of (NH4)2S2O8, gave 3-(perfluoroalkyl)prop-1-enes (R(f)CH2CH = CH2) and 3-(perfluoroalkyl)allenes (R(f)CH = C = CH2), respectively, in good yield. Evidence is presented for a radical addition-elimination mechanism for the reaction. The reaction represents a synthetically viable and convenient route to such compounds.

  DOI：

  10.1021/jo00008a041

文献信息

• HU, CHANG-MING;QING, FENG-LING;HUANG, WEI-YUAN, J. ORG. CHEM., 56,(1991) N, C. 2801-2804
  作者：HU, CHANG-MING、QING, FENG-LING、HUANG, WEI-YUAN

  DOI：——

  日期：——
• Reaction of perfluoroalkanesulfinates with allyl and propargyl halides. A convenient synthesis of 3-(perfluoroalkyl)prop-1-enes and 3-(perfluoroalkyl)allenes
  作者：Changming Hu、Fengling Qing、Weiyuan Huang

  DOI：10.1021/jo00008a041

  日期：1991.4

  The reaction of perfluoroalkanesulfinates, R(f)CF2SO2Na, with allyl and propargyl halides, in the presence of (NH4)2S2O8, gave 3-(perfluoroalkyl)prop-1-enes (R(f)CH2CH = CH2) and 3-(perfluoroalkyl)allenes (R(f)CH = C = CH2), respectively, in good yield. Evidence is presented for a radical addition-elimination mechanism for the reaction. The reaction represents a synthetically viable and convenient route to such compounds.