difluoro-[(Z)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]borane | 1037839-92-1

• 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: difluoro-[(Z)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]borane
• CAS: 1037839-92-1
• 化学式: C₆BF₁₃
• 分子量: 329.856
• InChiKey: BEBZEMINVMISJD-UPHRSURJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  difluoro-[(Z)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]borane 、 氢氟酸 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  (Fluoroorgano)fluoroboranes and -fluoroborates

  摘要：

  Polyfluoroalken-1-yldifluoroboranes RCF=CFBF2 (R = F, cis-, trans-Cl, trans-C4F9, cis-C2F5, cis-C6F13, trans-C4H9, trans-C6H5) were prepared by defluoridation of the corresponding fluoroborate salts K[RCF=CFBF3] using boron trifluoride in dichloromethane or fluorotrichloromethane. The alkenylboranes were characterised by H-1-, B-11- and F-19-NMR spectroscopy. Their reactivity towards ether, water and anhydrous HF was investigated. (C) 2001 Elsevier Science V.B. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00858-0
• 作为产物：
  描述：

  potassium cis-perfluorohexen-1-yltrifluoroborate 、 三氟化硼 以 not given 为溶剂， 以80%的产率得到difluoro-[(Z)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]borane
  参考文献：
  名称：

  (Fluoroorgano)fluoroboranes and -fluoroborates

  摘要：

  Polyfluoroalken-1-yldifluoroboranes RCF=CFBF2 (R = F, cis-, trans-Cl, trans-C4F9, cis-C2F5, cis-C6F13, trans-C4H9, trans-C6H5) were prepared by defluoridation of the corresponding fluoroborate salts K[RCF=CFBF3] using boron trifluoride in dichloromethane or fluorotrichloromethane. The alkenylboranes were characterised by H-1-, B-11- and F-19-NMR spectroscopy. Their reactivity towards ether, water and anhydrous HF was investigated. (C) 2001 Elsevier Science V.B. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00858-0

文献信息

• Distinct reactivities of cis- and trans-RFCF=CFBF2 towards XeF2 and the first synthesis of a [trans-RFCF=CFXe]+ salt
  作者：Hermann-Josef Frohn、Vadim V. Bardin

  DOI：10.1016/j.mencom.2007.05.001

  日期：2007.5

  The competitive reaction of C4F9CF=CFBF2 (Cis: trans = 1.2: 1) with XeF2 demonstrated for the first time a remarkably lower reaction rate of the trans isomer with respect to the cis isomer in the xenodeborylation reaction (formation of the [C4F9CF=CFXe](+) cation with a cis: trans ratio of 2.5 to 4:1) and allowed us to develop reaction conditions for the syntheses of [trans-C4F9CF=CFXe](+) salts.