potassium (perfluorohexyl)trifluoroborate | 329065-91-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: potassium (perfluorohexyl)trifluoroborate
• 英文别名: potassium perfluoro-hexyltrifluoroborate；potassium perfluorohexyltrifluoroborate
• CAS: 329065-91-0
• 化学式: C₆BF₁₆*K
• 分子量: 425.95
• InChiKey: WVMQUUFGCMWQIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 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：

  potassium (perfluorohexyl)trifluoroborate 在 五氟化砷 作用下， 以 1,1,1,3,3-五氟丙烷 为溶剂， 以90%的产率得到perfluorohexyldifluoroborane
  参考文献：
  名称：

  双（全氟有机基）溴鎓盐[（R F）2 Br] Y（R F  =芳基，烯基和炔基）

  摘要：

  溴鎓盐[（R ˚F）2溴- ] Y与全氟化基团- [R ˚F Ç 6 ˚F 5，CF 3 CF CF，C 2 ˚F 5 CF CF，和CF 3 C≡C，从BRF的反应分离出3，其中R ˚F BF 2在弱配位溶剂（wcs）中，例如CF 3 CH 2 CHF 2（PFP）或CF 3 CH 2 CF 2 CH 3（PFB），收率30-90％。C 6 F 5高炉2仅仅与化学计量无关地形成[[C 6 F 5）2 Br] [BF 4 ]。BrF 3与硅烷C 6 F 5 SiY 3（Y = F，Me）的1：2反应以不同的产物– C 6 F 5 BrF 2或[（C 6 F 5）2 Br] [SiF 5 ] –终止纯的个体，取决于Y和反应温度（Y = F）。在≥−30°C时使用C 6 F 5 SiF 3 [[C 6 F 5）2 Br] [SiF5 ]导致产率为92％，而具有较少路易斯酸性C 6 F 5 SiMe

  DOI：

  10.1016/j.jfluchem.2010.06.006
• 作为产物：
  描述：

  lithium perfluorohexyltrimethoxyborate 在 potassium hydrogen bifluoride 、 氢氟酸 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 5.0h， 以74%的产率得到potassium (perfluorohexyl)trifluoroborate
  参考文献：
  名称：

  双（全氟有机基）溴鎓盐[（R F）2 Br] Y（R F  =芳基，烯基和炔基）

  摘要：

  溴鎓盐[（R ˚F）2溴- ] Y与全氟化基团- [R ˚F Ç 6 ˚F 5，CF 3 CF CF，C 2 ˚F 5 CF CF，和CF 3 C≡C，从BRF的反应分离出3，其中R ˚F BF 2在弱配位溶剂（wcs）中，例如CF 3 CH 2 CHF 2（PFP）或CF 3 CH 2 CF 2 CH 3（PFB），收率30-90％。C 6 F 5高炉2仅仅与化学计量无关地形成[[C 6 F 5）2 Br] [BF 4 ]。BrF 3与硅烷C 6 F 5 SiY 3（Y = F，Me）的1：2反应以不同的产物– C 6 F 5 BrF 2或[（C 6 F 5）2 Br] [SiF 5 ] –终止纯的个体，取决于Y和反应温度（Y = F）。在≥−30°C时使用C 6 F 5 SiF 3 [[C 6 F 5）2 Br] [SiF5 ]导致产率为92％，而具有较少路易斯酸性C 6 F 5 SiMe

  DOI：

  10.1016/j.jfluchem.2010.06.006

文献信息

• Reactions of fluoroalk-1-en-1-yltrifluoroborate and perfluoroalk-1-yn-1-yltrifluoroborate salts and selected hydrocarbon analogues with hydrogen fluoride and with halogenating agents in aHF and in basic solvents
  作者：Vadim V. Bardin、Nicolay Yu. Adonin、Hermann-Josef Frohn

  DOI：10.1016/j.jfluchem.2011.09.011

  日期：2012.3

  products. In contrast, the salts K[RCFCFBF3] (R = CnF2n+1, trans-C4H9) and K[CF3CCBF3] underwent bromodeboration to RCFCFBr and CF3CCBr, respectively, when they were reacted with bromine in the polar solvents MeOH, MeCN, or sulfolane.

  K的电hydrodeboration [R'BF的相对速率3 ]与HF（27-100％）系列中的R'=减少Ç 4 ħ 9 Ç C> c ^ 4 ˚F 9 CF CFC C> CF 2 C（CF 3）> C 3 F 7 C C〜（CF 3）2 CFC C> CF 3 CC 。当R'= CF 3 C C时，通过添加获得新盐K [CF 3 CH 2 –CF 2 BF 3 ] CF 3 C以外的HF含量CH和K [BF 4 ]。少量水引起副产物K [CF 3 CH 2 –C（O）BF 3 ]的形成。全氟链烯基三氟硼酸盐与NCS或NBS在aHF（无水HF）中的亲电子卤代氟化作用导致K [R F CFHal–CF 2 BF 3 ]（来自K [R F CF CFBF 3 ]）和K [R F CFal 2 –CF 2 BF 3 ]（来自K [R F CHal CFBF 3 ]和K [R F C CBF 3
• Hydrophobic Ionic Liquids Composed of Perfluoroalkyltrifluoroborates for Ionic Liquid–Water Two-Phase Systems
  作者：Naoya Nishi、Akihito Suzuki、Takashi Kakiuchi

  DOI：10.1246/bcsj.82.86

  日期：2009.1.15

  Ionic liquids (ILs) composed of perfluoroalkyltrifluoroborate ions (CnF2n+1BF3−, n = 2, 3, 4, and 6) and highly hydrophobic cations are found to have properties suitable to the applications of ILs in IL–water (W) two-phase systems because of their high stability against hydrolysis, high hydrophobicity, and low melting points. The rate of hydrolysis of CnF2n+1BF3− is four orders of magnitude slower than that of BF4−. The ion-transfer voltammograms for the transfer of CnF2n+1BF3− across the interface between nitrobenzene and W show that these CnF2n+1BF3− have hydrophobicity comparable to or higher than those of PF6− and bis(trifluoromethylsulfonyl)imide depending on n. The physicochemical properties (density, viscosity, conductivity, and solubility of ILs in W) of CnF2n+1BF3−-based ILs are measured for the ILs having melting points lower than room temperature. The hydrophobicity of the CnF2n+1BF3− ions is well correlated with the solubility of the ILs in W and also with the width of the polarized potential window at the IL|W interface.

  富氟烷基三氟硼酸盐离子（CnF2n+1BF3−，n = 2，3，4和6）和高度疏水性阳离子组成的离子液体（ILs）由于其在水解方面的高稳定性、高疏水性和低熔点，显示出在IL–水（W）双相系统中的应用潜力。CnF2n+1BF3−的水解速率比BF4−慢四个数量级。在硝基苯和水之间的界面上，CnF2n+1BF3−的离子转移伏安图显示，这些CnF2n+1BF3−的疏水性与PF6−和双（三氟甲基磺酰）亚胺的疏水性相当或更高，具体取决于n。对于熔点低于室温的基于CnF2n+1BF3−的离子液体，测量其物理化学性质（密度、粘度、电导率以及离子液体在水中的溶解度）。CnF2n+1BF3−离子的疏水性与离子液体在水中的溶解度以及IL|W界面上极化电位窗口的宽度有良好的关联。
• Thermal decomposition of 4-fluorobenzenediazonium perfluoroorganyl(fluoro)borates, [4-FC6H4N2]Y (Y=RFBF3 (RF=C6F5, C6F13, trans-C4F9CFCF, cis-C6F13CFCF, CF3CC) and (C6F13)2BF2)
  作者：Vadim V. Bardin、Hermann-Josef Frohn

  DOI：10.1016/j.jfluchem.2013.08.001

  日期：2013.12

  Heating of the neat salts [4-FC6H4N2][RFRF3] (R-F = C6F5, C6F13 trans-C4F9CF=CF, cis-C6F13CF=CF, CF3C C or in solid mixtures with NaF gives the principal product 1,4-C6F2H4 besides RFBF2 or Na[RFBF3], respectively. Thermolysis of [4-FC6H4N2][(C6F13)(2)BF2] in NaF results in 1,4-C6F2H4, Na[BF4], Na[(C6F13)(2)BF2], and a new type of product, the isomer Na[C6F13CF(BF3)C5F11]. (C) 2013 Elsevier B.V. All rights reserved.
• A Preparative Method for Perfluoroalkyltrifluoroborates and Perfluoroalkyldifluoroboranes
  作者：H.-J. Frohn、V. V. Bardin

  DOI：10.1002/1521-3749(200101)627:1<15::aid-zaac15>3.0.co;2-a

  日期：2001.1

  A convenient new preparative method for the unknown class of perfluoroalkyltrifluoroborates K[CnF2n + 1BF3] and perfluoroalkyldifluoroboranes CnF2n + 1BF2 (n > 1) is elaborated. The perfluoroalkyl group is introduced into the boric acid ester by using CnF2n + 1MgBr. Treatment with K[HF2] and HF,, results in K[CnF2n + 1BF3] which can be defluoridated by AsF5 to the corresponding boranes CnF2n + 1BF2.
• (Fluoroorgano)fluoroboranes and -borates. 7 [1] The Reaction of RFBF2 and K [RFBF3] (RF = perfluorophenyl-, perfluoroalk-1-enyl- and perfluoroalkyl) with Xenon Difluoride in Anhydrous HFDedicated to Professor Dieter Naumann on the Occasion of his 60th Birthday
  作者：H.-J. Frohn、V. V. Bardin

  DOI：10.1002/1521-3749(200208)628:8<1853::aid-zaac1853>3.0.co;2-m

  日期：2002.8

  The dissolution of (perfluoroorgano)difluoroboranes RFBF2 in anhydrous HF (aHF) resulted in equilibrium mixtures of the starting borane and different kinds of acid-base products: [H2F] [RFBF2(F.HF)] (R-F=C6F5, cis-C2F5CF=CF, trans-C4F9CF=CF) or [H2F] [RFBF3] (RF=C6F13). In aHF the aryl compounds C6F5BF2 and K [C6F5BF3] showed two parallel reactivities with XeF2: xenodeborylation (formation of the [C6F5Xe](+) cation) and fluorine addition to the aryl group. In aHF perfluoroalk-1-enyldifluoroboranes RFBF2 as well as potassium perfluoroalk-1-enyltrifluoroborates K [RFBF3] (R-F=cis-C2F5CF=CF, trans-C4F9CF=CF) underwent only fluorine addition across the carbon-carbon double bond under the action of XeF2. Potassium perfluorohexyl-trifluoroborate K [C6F13BF3] did not react with XeF2 in aHF.