[(E)-6,6,6-trifluoro-3-(trifluoromethyl)hex-1-enyl]benzene | 136412-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(E)-6,6,6-trifluoro-3-(trifluoromethyl)hex-1-enyl]benzene
• CAS: 136412-75-4
• 化学式: C₁₃H₁₂F₆
• 分子量: 282.229
• InChiKey: JLNPTAOOMKHPJO-VOTSOKGWSA-N

物化性质

• 沸点：
  241.0±40.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  3,3,3-三氟丙烯 、 氯化苄 在 五羰基铁 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (3-chloro-4,4,4-trifluorobutyl)benzene 、 [(E)-6,6,6-trifluoro-3-(trifluoromethyl)hex-1-enyl]benzene 、 Benzene, [1-chloro-6,6,6-trifluoro-3-(trifluoromethyl)hexyl]-, (R*,R*)-
  参考文献：
  名称：

  Reaction of benzyl chloride with propylene and trifluoropropene under metallocomplex initiation conditions

  摘要：

  The reactions of benzyl chloride with propylene and 3,3,3-trifluoropropene in the presence of Fe(CO)5 + DMF were studied. With propylene, the reaction stops at the addition stage with the simultaneous formation of dibenzyl. In the case of 3,3,3-trifluoropropene, a telomerization takes place, whereby the second growing radical C6H5CH2CH2CH(CF3)CH2CHCF3 practically completely isomerizes with a 1,5-migration into the radical C6H5CHCH2CH(CF3)CH2CH2CF3. To confirm the structure of the isolated compounds, chromato-mass-spectrometry and C-13 NMR were used.

  DOI：

  10.1007/bf00961302

文献信息

• Reaction of benzyl chloride with propylene and trifluoropropene under metallocomplex initiation conditions
  作者：T. T. Vasil'eva、I. A. Fokina、S. V. Vitt

  DOI：10.1007/bf00961302

  日期：1991.6

  The reactions of benzyl chloride with propylene and 3,3,3-trifluoropropene in the presence of Fe(CO)5 + DMF were studied. With propylene, the reaction stops at the addition stage with the simultaneous formation of dibenzyl. In the case of 3,3,3-trifluoropropene, a telomerization takes place, whereby the second growing radical C6H5CH2CH2CH(CF3)CH2CHCF3 practically completely isomerizes with a 1,5-migration into the radical C6H5CHCH2CH(CF3)CH2CH2CF3. To confirm the structure of the isolated compounds, chromato-mass-spectrometry and C-13 NMR were used.