1-溴-6-氯-1,1,2,2,3,3,4,4,5,5,6,6-十二氟己烷 | 105198-06-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 1-溴-6-氯-1,1,2,2,3,3,4,4,5,5,6,6-十二氟己烷
• 英文名称: Hexane, 1-bromo-6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-
• 英文别名: 1-bromo-6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• CAS: 105198-06-9
• 化学式: C₆BrClF₁₂
• 分子量: 415.404
• InChiKey: RJYUGJPLXNTDNT-UHFFFAOYSA-N

物化性质

• 沸点：
  122 °C
• 密度：
  1.907±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1-溴-6-氯-1,1,2,2,3,3,4,4,5,5,6,6-十二氟己烷 在 sodium disulfite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到sodium 6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexanesulfinate
  参考文献：
  名称：

  Studies on sulfinatodehalogenation. XXIX. The sulfinatodehalogenation of primary polyfluoroalkyl iodides and bromides by sodium disulfite

  摘要：

  DOI：

  10.1016/0022-1139(93)02964-g
• 作为产物：
  描述：

  Sodium;6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane-1-sulfinate 、 溶剂黄146 、 溴 以64%的产率得到
  参考文献：
  名称：

  HUANG, WEI-YUAN;CHEN, JIAN-LONG, ACTA CHIM. SIN., 45,(1987) N 5, 445-449

  摘要：

  DOI：

文献信息

• A facile method for the perfluoroalkylation of pyridine its derivatives
  作者：Huang Bingnan、Liu Jintao

  DOI：10.1016/s0040-4039(00)94679-3

  日期：1990.1

  Perfluoroalkylation of pyridine and its derivatives was achieved by reacting with perfluoroalkyl iodides or bromides in the presence of rongalite under mild conditions.

  吡啶及其衍生物的全氟烷基化是通过在温和的条件下在钙铝矾石的存在下与全氟烷基碘或溴化物反应来实现的。
• Direct hydroperfluoroalkylation of ethyl propiolate with perfluoroalkyl iodides and bromides by a Co/Zn bimetal redox system
  作者：Chang-Ming Hu、Yao-Ling Qiu

  DOI：10.1016/s0022-1139(00)81261-0

  日期：1991.11

  The addition of perfluoroalkyl halides RfX (1) (X=I, Br) to ethyl propiolate (2) has been performed smoothly with zinc powder and a catalytic amount of bromo(pyridine)cobaloxime(III) (3) in ethanol. The product (4) was a mixture of Z- and E-isomers, with the former predominating.

  用锌粉和在乙醇中催化量的溴（吡啶）钴氧肟（III）（3）平稳地将全氟烷基卤化物R f X（1）（X = I，Br）添加到丙酸乙酯（2）中。产物（4）是Z-和E-异构体的混合物，其中前者占主导地位。
• Studies on fluoroalkylation and fluoroalkoxylation. Regioselective synthesis of fluoroalkylated imidazoles
  作者：Qing-Yun Chen、Zai-Ming Qiu

  DOI：10.1039/c39870001240

  日期：——

  High yields of 4-fluoroalkylimidazoles are obtained regioselectively by the reactions of an imidazole anion and fluoroalkyl iodides or bromides under mild conditions; an SRN1 mechanism is proposed.

  在温和的条件下，通过咪唑阴离子与氟代烷基碘化物或溴化物的反应，区域选择性地获得高产率的4-氟代烷基咪唑。提出了一种S RN 1机制。
• Sodium dithionite initiated addition–sulfination reaction of perfluoroalkyl bromides and olefins
  作者：Jin-Tao Liu、Guo-Dong Sui、Gang Chen、Wei-Yuan Huang

  DOI：10.1016/s0022-1139(98)00281-4

  日期：1999.1

  In the presence of sodium dithionite, perfluoroalkyl bromides reacted with olefins readily in aqueous iso-propanol solution under mild conditions, giving the corresponding addition–sulfination products, RFCH2CH(R)SO2Na, in good yields. A radical mechanism was proposed for this reaction.

  在连二亚硫酸钠存在下，全氟烷基溴化物在温和的条件下在异丙醇水溶液中容易与烯烃反应，从而以高收率得到相应的加成硫化产物R F CH 2 CH（R）SO 2 Na。提出了用于该反应的根本机理。
• Studies on sulfinatodehalogenation. XXVI. Perfluoroalkylation of nitrogen-containing heteroaromatic compounds with perfluoroalkyl halides and Rongalite
  作者：Bing-Nan Huang、Jin-Tao Liu

  DOI：10.1016/s0022-1139(00)80061-5

  日期：1993.9

  Perfluoroalkylation of some nitrogen-containing heteroaromatic compounds such as pyrrole, pyridines, quinoline and isoquinoline has been achieved by reacting with perfluoroalkyl iodides or bromides in the presence of Rongalite under mild conditions. The distribution of isomers formed was consistent with a radical reaction mechanism.