1,1,1,12,12,12-hexafluorododecane | 16057-54-8

• 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: 1,1,1,12,12,12-hexafluorododecane
• 英文别名: 1,10-bis(trifluoromethyl)decane；1,1,1,12,12,12-hexafluoro-dodecane
• CAS: 16057-54-8
• 化学式: C₁₂H₂₀F₆
• 分子量: 278.281
• InChiKey: SIQZSYYKWBIORH-UHFFFAOYSA-N

物化性质

• 沸点：
  233.4±8.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  18
• 可旋转键数：
  9
• 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：
  6

反应信息

• 作为产物：
  描述：

  1,10-二溴癸烷 在 正丁基锂 、 三氟化溴 作用下， 以 四氢呋喃 、 正己烷 、 一氟三氯甲烷 为溶剂， 反应 2.5h， 生成 1,1,1,12,12,12-hexafluorododecane
  参考文献：
  名称：

  Constructing the CF3 group; unique trifluorodecarboxylation induced by BrF3

  摘要：

  A variety of 2-alkyl-1,3-dithiane-2-carboxylic acids was prepared from the appropriate alkyl halides, 1,3-dithiane and CO2. These acids were reacted with BrF3 to form the trifluoromethylalkyl derivatives via a combination of ionic and radical trifluorodecarboxylation in about 50-60% yield. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.11.063

文献信息

• Conversion of MT-sulfone to a trifluoromethyl group by IF5: the application of an MT-sulfone anion as a trifluoromethyl anion equivalent
  作者：Yosuke Imagawa、Syuhei Yoshikawa、Tadahito Fukuhara、Shoji Hara

  DOI：10.1039/c1cc13232f

  日期：——

  An MT-sulfone group was converted to a trifluoromethyl group by treatment with IF5 after an alkylation reaction. Therefore, an MT-sulfone anion can be used as a trifluoromethyl anion equivalent. The formal asymmetric Michael-addition of a trifluoromethyl anion to crotonaldehyde was also performed.

  烷基化反应后，通过用IF5处理将MT-磺基转化为三氟甲基。因此，MT-砜阴离子可以用作三氟甲基阴离子等价物。还进行了三氟甲基阴离子与巴豆醛的正式不对称迈克尔加成。
• Dobe, Sandor; Berces, Tibor; Marta, Ferenc, Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 111, # 1, p. 43 - 58
  作者：Dobe, Sandor、Berces, Tibor、Marta, Ferenc

  DOI：——

  日期：——
• Constructing the CF3 group; unique trifluorodecarboxylation induced by BrF3
  作者：Revital Sasson、Shlomo Rozen

  DOI：10.1016/j.tet.2004.11.063

  日期：2005.1

  A variety of 2-alkyl-1,3-dithiane-2-carboxylic acids was prepared from the appropriate alkyl halides, 1,3-dithiane and CO2. These acids were reacted with BrF3 to form the trifluoromethylalkyl derivatives via a combination of ionic and radical trifluorodecarboxylation in about 50-60% yield. (C) 2004 Elsevier Ltd. All rights reserved.