potassium 2,2-dicyanobutyltrifluoroborate | 1041202-89-4

• 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 2,2-dicyanobutyltrifluoroborate
• 英文别名: Potassium;2,2-dicyanobutyl(trifluoro)boranuide
• CAS: 1041202-89-4
• 化学式: C₆H₇BF₃N₂*K
• 分子量: 214.039
• InChiKey: CUDADYJCHXPYNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  potassium 2,2-dicyanoethyltrifluoroborate 、 碘乙烷 在 sodium hydride 、 potassium hydrogen bifluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 以98%的产率得到potassium 2,2-dicyanobutyltrifluoroborate
  参考文献：
  名称：

  Facile Synthesis of Highly Functionalized Ethyltrifluoroborates

  摘要：

  Organotrifluoroborates are generating increased interest because of their ease of preparation and purification and indefinite shelf life. Herein we report the preparation of organotrifluoroborates bearing functional groups that can be manipulated at different stages of the synthetic route, exploiting the inertness of their carbon-boron bonds. The alkylation of 2,2-dicyanoethyltrifluoroborate with a variety of electrophiles and of (EWG)(2)CH2 with potassium iodomethyltrifluoroborate resulted in di- and trisubstituted ethyltrifluoroborates in good to excellent yields.

  DOI：

  10.1021/jo800760f

文献信息

• Facile Synthesis of Highly Functionalized Ethyltrifluoroborates
  作者：Gary A. Molander、Wilma Febo-Ayala、Montserrat Ortega-Guerra

  DOI：10.1021/jo800760f

  日期：2008.8.1

  Organotrifluoroborates are generating increased interest because of their ease of preparation and purification and indefinite shelf life. Herein we report the preparation of organotrifluoroborates bearing functional groups that can be manipulated at different stages of the synthetic route, exploiting the inertness of their carbon-boron bonds. The alkylation of 2,2-dicyanoethyltrifluoroborate with a variety of electrophiles and of (EWG)(2)CH2 with potassium iodomethyltrifluoroborate resulted in di- and trisubstituted ethyltrifluoroborates in good to excellent yields.