potassium N-butyl-aminomethyltrifluoroborate | 888711-51-1

• 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: potassium N-butyl-aminomethyltrifluoroborate
• 英文别名: Potassium ((butylamino)methyl)trifluoroborate；potassium;butylaminomethyl(trifluoro)boranuide
• CAS: 888711-51-1
• 化学式: C₅H₁₂BF₃N*K
• mdl: MFCD18459317
• 分子量: 193.061
• InChiKey: WLCYSCUUGQZHCT-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (溴甲基)三氟硼酸钾 、 正丁胺 反应 0.5h， 以88%的产率得到potassium N-butyl-aminomethyltrifluoroborate
  参考文献：
  名称：

  Synthesis of Functionalized Organotrifluoroborates via Halomethyltrifluoroborates

  摘要：

  Potassium bromo- and iodomethyltrifluoroborates have been prepared via in situ reaction of n-BuLi with dibromo- and diiodomethane, respectively, in the presence of trialkyl borates, followed by treatment with KHF2. Moreover, a new synthetic method for the preparation of potassium organotrifluoroborates through nucleophilic substitution of the halide in these potassium halomethyltrifluoroborates is described.

  DOI：

  10.1021/ol060375a

文献信息

• Synthesis of Functionalized Organotrifluoroborates via Halomethyltrifluoroborates
  作者：Gary A. Molander、Jungyeob Ham

  DOI：10.1021/ol060375a

  日期：2006.5.1

  Potassium bromo- and iodomethyltrifluoroborates have been prepared via in situ reaction of n-BuLi with dibromo- and diiodomethane, respectively, in the presence of trialkyl borates, followed by treatment with KHF2. Moreover, a new synthetic method for the preparation of potassium organotrifluoroborates through nucleophilic substitution of the halide in these potassium halomethyltrifluoroborates is described.