1,2-二氟-2-(七氟丙氧基)乙烯基三氟硼酸钾 | 444576-81-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 1,2-二氟-2-(七氟丙氧基)乙烯基三氟硼酸钾
• 英文名称: potassium 1,2-difluoro-2-(heptafluoropropoxy)ethenyltrifluoroborate
• 英文别名: potassium;[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]-trifluoroboranuide
• CAS: 444576-81-2；444343-46-8
• 化学式: C₅BF₁₂O*K
• 分子量: 353.945
• InChiKey: ODXBXHMZIWVACX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1,2-二氟-2-(七氟丙氧基)乙烯基三氟硼酸钾 、 氢氟酸 以 氢氟酸 为溶剂， 生成 氟硼酸钾
  参考文献：
  名称：

  The Reactivity of Potassium Polyfluoroaryl-, Polyfluoroalkenyl-, and Perfluoroalkyltrifluoroborates and their Hydrocarbon Analogues towards Acids of Different Strength: A Systematic Study of the Hydrodeboration

  摘要：

  The hydrodeboration of the (fluoroorgano)trifluoroborates K [RFBF3] [R-F = C6F5, XCF=CF (X = F, cis- and trans-Cl, -C3F7O, cis-C2F5, trans-C4F9, -C4H9) and C6F13] and of the organotrifluoroborates K [RBF3] (R = C6H5, cis- and trans-C4H9CH=CH, C4H9CH=CH, C4H9 and C8H17) with CH3CO2H (100%), CF3CO2H (100%). aqueous HF and anhydrous HF was investigated. In the alkenyltrifluoroborates K [R'CF=CFBF3] the formal replacement of BF3 by a proton occurred stereo specifically under retention of the configuration. The F-19 NMR spectra of K [RFBF3] in acids indicate strong interactions of the BF3 group with protons or acid molecules.

  DOI：

  10.1002/1521-3749(200205)628:4<883::aid-zaac883>3.0.co;2-a

文献信息

• Photoinduced Isomerization of Potassium Polyfluoroalk-1-enyltrifluoroborates
  作者：V. V. Bardin、H.-J. Frohn

  DOI：10.1002/1521-3749(200205)628:4<721::aid-zaac721>3.0.co;2-9

  日期：2002.5

  The UV irradition of K [RCF = CFBF3] [R = C4F9 (trans). C2F5 (cis)- C6F13 (cis), Cl (cis/trans 1 : 1)] in acetone led to cis/trans-isomerization with a final cis/trans composition 7:3. In the case of R = C4H9 (trans) or C3F7O (cis/trans 25 : 75) the photoisomerization was accompanied by a partial decomposition.