2-Iodo-6-trifluoromethyl-5,5-dihydroperfluoroheptane | 118161-95-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 英文名称: 2-Iodo-6-trifluoromethyl-5,5-dihydroperfluoroheptane
• 英文别名: 5H,5H-pentadecafluoro-2-iodo-6-methylheptane
• CAS: 118161-95-8
• 化学式: C₈H₂F₁₅I
• 分子量: 509.984
• InChiKey: LVSHFFYKYOTZAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  2-Iodo-6-trifluoromethyl-5,5-dihydroperfluoroheptane 在 五氟化锑 作用下， 以 various solvent(s) 为溶剂， 反应 24.0h， 生成 1,1,1,2,4,4,5,5,6,8,8,10,10,10-Tetradecafluoro-2,6-bis-trifluoromethyl-decane
  参考文献：
  名称：

  高分子化学。第1部分。与六氟丙烯偏二氟乙烯弹性体有关的模型化合物

  摘要：

  与从CH导出的重要弹性体模型化合物2 2CF 2 / CFCF 3是从调聚物合成（CF 3）2 CF（CH 2 CF 2 Ñ I，通过联接和fluorodeiodination反应。这些模型，在反应用碱给出与聚合物的交联机理有关的信息以及限制其使用寿命的因素，并介绍了SbF 5在氟化单烯和二烯的合成中用于脱氢氟化的新用途。

  DOI：

  10.1016/s0022-1139(00)83069-9
• 作为产物：
  描述：

  六氟丙烯 、 2H,2H-nonafluoro-1-iodo-3-methylbutane 反应 44.0h， 以65%的产率得到2-Iodo-6-trifluoromethyl-5,5-dihydroperfluoroheptane
  参考文献：
  名称：

  Controlled step-wise telomerization of vinylidene fluoride, hexafluoropropene and trifluoroethylene with iodofluorinated transfer agents

  摘要：

  Highly fluorinated cotelomers having the structure F(TFE)(w)(VDF)(x)(HFP)(y)(TrFE)(z)I containing one or several tetrafluoroethylene (TFE), vinylidene fluoride (or 1,1-difluoroethylene, VDF), hexafluoropropene (HFP) or trifluoroethylene (TrFE) base units were synthesized by thermal step-wise cotelomerization of these fluoroolefins with perfluoroalkyl iodides. H-1 and F-19 NMR allowed one to characterize these cotelomers and to assess the defects of chaining arid the molecular weights. While the monoadduct produced from VDF exclusively exhibits RFCH2CF2I structure, that prepared from TrFE was composed of RFCFHCF2I and RFCF2CFHI isomers, the ratio of which is directed from the electrophilicity of R-F* radical. The reactivity of the C-I bond in R-F-Q-CXY-I depends on the nature of the Q spacer and on the reactivity of the fluorinated monomer (e.g., thermal initiations of VDF, TrFE and HFP were efficient from 180, 195 and 210 degrees C, respectively). The mechanism of the addition of the radical generated from the iodinated transfer agent to the fluoroalkene is explained by means of its electrophilic attack to the more nucleophilic (i.e., the less electrophilic) side of the olefin. Ethylenation of these fluorocotelomers was successfully achieved from various initiations (thermal, redox or from peroxides) with best results from redox catalysis. Thermal properties of several fluorotelomers (glass transition temperatures, T-g and melting temperatures, T-m) were assessed. They were linked to the number of consecutive CF2 groups (for the crystalline zones) and bulky side groups which induced amorphous regions. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00287-0