GaCl3(3,5-diphenylpyrazole) | 481711-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: GaCl3(3,5-diphenylpyrazole)
• 英文别名: 3,5-diphenyl-1H-pyrazole;trichlorogallane
• CAS: 481711-03-9
• 化学式: C₁₅H₁₂Cl₃GaN₂
• 分子量: 396.356
• InChiKey: ULNNPDVAEGWMOF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 GaCl3(3,5-diphenylpyrazole) 以 二氯甲烷 、 氘代甲苯 为溶剂， 生成 3,5-diphenylpyrazolium tetrachlorogallate
  参考文献：
  名称：

  Synthesis and structural characterization of complexes derived from treatment of gallium trichloride with 3,5-diphenylpyrazole

  摘要：

  The adduct GaCl3(Ph(2)pzH) (Ph(2)pzH, 3,5-diphenylpyrazole) was synthesized in 96% yield upon treatment of equimolar amounts of gallium trichloride with Ph2pzH in toluene at room temperature. The tetrachlorogallate salt [Ph(2)pzH(2)](+) GaCl4- was obtained in 93% yield by treatment of a 2:1 stoichiometry of gallium trichloride and Ph2pzH at room temperature. followed by recrystallization from toluene/dichloromethane. The X-ray crystal structures of GaCl3(Ph(2)pzH) and [Ph(2)pzH(2)]+GaCl4- were determined, and reveal weak hydrogen bond interactions between the nitrogen-bound hydrogen atoms and gallium-bound chlorine atoms. Examination of the formation of [Ph(2)pzH(2)]+GaCl4- from GaCl3(Ph(2)pzH) and gallium trichloride (1.0 equiv.) revealed that the hydrogen chloride used to form [Ph(2)pzH(2)](+) GaCl4- arises from gallium trichloride-catalyzed chloromethylation of toluene. Under conditions where [Ph(2)pzH(2)]+GaCl4- was isolated in 82% yield upon treatment of GaCl3(Ph(2)pzH) and gallium trichloride (1.0 equiv.) in toluene/dichloromethane, a mixture of ditolylmethane isomers was isolated in 330% yield based upon gallium trichloride. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)00931-2
• 作为产物：
  描述：

  3,5-二苯基吡唑 、 氯化镓 以 氘代氯仿 为溶剂， 生成 GaCl3(3,5-diphenylpyrazole)
  参考文献：
  名称：

  Synthesis and structural characterization of complexes derived from treatment of gallium trichloride with 3,5-diphenylpyrazole

  摘要：

  The adduct GaCl3(Ph(2)pzH) (Ph(2)pzH, 3,5-diphenylpyrazole) was synthesized in 96% yield upon treatment of equimolar amounts of gallium trichloride with Ph2pzH in toluene at room temperature. The tetrachlorogallate salt [Ph(2)pzH(2)](+) GaCl4- was obtained in 93% yield by treatment of a 2:1 stoichiometry of gallium trichloride and Ph2pzH at room temperature. followed by recrystallization from toluene/dichloromethane. The X-ray crystal structures of GaCl3(Ph(2)pzH) and [Ph(2)pzH(2)]+GaCl4- were determined, and reveal weak hydrogen bond interactions between the nitrogen-bound hydrogen atoms and gallium-bound chlorine atoms. Examination of the formation of [Ph(2)pzH(2)]+GaCl4- from GaCl3(Ph(2)pzH) and gallium trichloride (1.0 equiv.) revealed that the hydrogen chloride used to form [Ph(2)pzH(2)](+) GaCl4- arises from gallium trichloride-catalyzed chloromethylation of toluene. Under conditions where [Ph(2)pzH(2)]+GaCl4- was isolated in 82% yield upon treatment of GaCl3(Ph(2)pzH) and gallium trichloride (1.0 equiv.) in toluene/dichloromethane, a mixture of ditolylmethane isomers was isolated in 330% yield based upon gallium trichloride. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)00931-2