(3,5-difluorophenyl)(pentafluorophenyl)iodonium tetrafluoroborate | 319439-15-1

• 英文名称: (3,5-difluorophenyl)(pentafluorophenyl)iodonium tetrafluoroborate
• CAS: 319439-15-1
• 化学式: BF₄*C₁₂H₃F₇I
• 分子量: 493.854
• InChiKey: XHPCWFPFPUQNSF-UHFFFAOYSA-N

计算性质

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

• 作为产物：
  描述：

  五氟(二氟碘)苯 、 (3,5-二氟苯基)(二氟)硼烷 以 二氯甲烷 为溶剂， 以81%的产率得到(3,5-difluorophenyl)(pentafluorophenyl)iodonium tetrafluoroborate
  参考文献：
  名称：

  摘要：

  Aryl(pentafluorophenyl)iodoniumtetrafluoroborates [Ar'Ar "I][BF4] (Ar' = C6F5, Ar " = C6H5, o-C6H4F, m-C6H4F p-C6H4F, 2,6-C6H3F2, 3,5-C6H3F2, 2,4,6-C6H2F3, 3,4,5-C6H2F3, C6F5) are prepared in good yields and high purity by the reaction of C6F6IF2 with Ar " BF2 in CH2Cl2. This convenient method can be applied generally to many iodonium compounds. Thermal and spectroscopic properties (H-1, C-13, F-19 NMR, IR, Raman) are reported and discussed. The solid state structures of six iodonium compounds show significant cation-anion interactions which result in two different arrangements: a dimer with a 8-membered ring or polymers with infinite zigzag chains. Ab initio calculations on prototypes of aryliodonium cations show relations between the kind of the aryl group (C6H5 vs. C6F5) and structural parameters as well as charges. By means of F-19 NMR the sigma (1)- and sigma (R)-constants of the [C6F5I](+)-substituent are determined.

  DOI：

  10.1002/1521-3749(200011)626:11<2419::aid-zaac2419>3.0.co;2-k