potassium 4-(1-hydroxyethyl)phenyltrifluoroborate | 906007-40-7

• 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-(1-hydroxyethyl)phenyltrifluoroborate
• 英文别名: Potassium trifluoro(4-(1-hydroxyethyl)phenyl)borate；potassium;trifluoro-[4-(1-hydroxyethyl)phenyl]boranuide
• CAS: 906007-40-7
• 化学式: C₈H₉BF₃O*K
• 分子量: 228.063
• InChiKey: XNIOZFVOWUXLIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  potassium 4-(1-hydroxyethyl)phenyltrifluoroborate 在 2-碘酰基苯甲酸 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以92%的产率得到钾(4-乙酰基苯基)(三氟)硼酸酯(1-)
  参考文献：
  名称：

  Oxidation of Hydroxyl-Substituted Organotrifluoroborates

  摘要：

  Potassium- and tetra-n-butylammonium organotrifluoroborates containing hydroxyl groups have been prepared and oxidized using several common oxidants. Aryl-, alkenyl-, and alkyltrifluoroborates containing both primary and secondary hydroxyl groups were oxidized in moderate to excellent yields with complete retention of the trifluoroborate moiety. The utility of these oxidized products was demonstrated in a Suzuki-Miyaura cross-coupling reaction.

  DOI：

  10.1021/ja062974i
• 作为产物：
  描述：

  4-(1-羟基乙基)苯硼酸 在 potassium hydrogen bifluoride 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 potassium 4-(1-hydroxyethyl)phenyltrifluoroborate
  参考文献：
  名称：

  Oxidation of Hydroxyl-Substituted Organotrifluoroborates

  摘要：

  Potassium- and tetra-n-butylammonium organotrifluoroborates containing hydroxyl groups have been prepared and oxidized using several common oxidants. Aryl-, alkenyl-, and alkyltrifluoroborates containing both primary and secondary hydroxyl groups were oxidized in moderate to excellent yields with complete retention of the trifluoroborate moiety. The utility of these oxidized products was demonstrated in a Suzuki-Miyaura cross-coupling reaction.

  DOI：

  10.1021/ja062974i

文献信息

• Oxidation of Hydroxyl-Substituted Organotrifluoroborates
  作者：Gary A. Molander、Daniel E. Petrillo

  DOI：10.1021/ja062974i

  日期：2006.8.1

  Potassium- and tetra-n-butylammonium organotrifluoroborates containing hydroxyl groups have been prepared and oxidized using several common oxidants. Aryl-, alkenyl-, and alkyltrifluoroborates containing both primary and secondary hydroxyl groups were oxidized in moderate to excellent yields with complete retention of the trifluoroborate moiety. The utility of these oxidized products was demonstrated in a Suzuki-Miyaura cross-coupling reaction.