tetrabutylammonium trifluoro(2,3,5,6-tetrafluoro-4-isopropoxyphenyl)borate | 1428743-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tetrabutylammonium trifluoro(2,3,5,6-tetrafluoro-4-isopropoxyphenyl)borate
• CAS: 1428743-87-6
• 化学式: C₉H₇BF₇O*C₁₆H₃₆N
• 分子量: 517.422
• InChiKey: OXNNKEOFHKYRQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.09
• 重原子数：
  35.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  potassium perfluorophenyltrifluoroborate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 14.0h， 生成 tetrabutylammonium trifluoro(2,3,5,6-tetrafluoro-4-isopropoxyphenyl)borate
  参考文献：
  名称：

  Synthesis of K[4-ROC6F4BF3] from potassium pentafluorophenyltrifluoroborate and O-nucleophiles

  摘要：

  A new route to potassium polyfluoroaryltrifluoroborates, K[4-ROC6F4BF3], consisting in the nucleophilic alkoxydefluorination of K[C6F5BF3] with MOR (M = K, Na) in a polar aprotic solvent is suggested. Reaction of K[C6F5BF3] with KO-t-Bu proceeds smoothly at 25 degrees C in DME, but the attempted alkoxydefluorination of K[C6F5BF3] with other NaOR at 30 degrees C in DME failed. A series of K[4-ROC6F4BF3] (R approximate to Me, Et, Pr, i-Pr, Bu, PhCH2) is prepared using the corresponding sodium alkoxides in DMF at 130 degrees C in 80-90% isolated yield. Salt K[4-CH2=CHCH2OC6F4BF3] is prepared at 100 degrees C whereas at 130 degrees C formation of 2,3,5,6-C6F4HOCH2CH=CH2 occurs. Salt K[4-PhOC6F4BF3] is obtained in 82% yield using KOPh (2 equivalents) in DMSO at 130 degrees C. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.01.020