potassium (4-phenylpropoxy)methyltrifluoroborate | 888711-55-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: potassium (4-phenylpropoxy)methyltrifluoroborate
• 英文别名: Potassium;trifluoro(3-phenylpropoxymethyl)boranuide
• CAS: 888711-55-5
• 化学式: C₁₀H₁₃BF₃O*K
• 分子量: 256.117
• InChiKey: WAOAKIBBQILRGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (溴甲基)三氟硼酸钾 、 3-苯丙醇 在 sodium hydride 作用下， 以 various solvent(s) 为溶剂， 反应 9.0h， 以86%的产率得到potassium (4-phenylpropoxy)methyltrifluoroborate
  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.