tris(pentamethylphenyl) gallium | 446023-34-3

• 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: tris(pentamethylphenyl) gallium
• CAS: 446023-34-3
• 化学式: C₃₃H₄₅Ga
• 分子量: 511.443
• InChiKey: QXUMXWPAIZNWEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氯化镓 、 2,3,4,5,6-pentamethylphenylmagnesium bromide 以 乙醚 为溶剂， 以31%的产率得到tris(pentamethylphenyl) gallium
  参考文献：
  名称：

  Synthesis and molecular structure of tris(pentamethylphenyl)gallium

  摘要：

  Tris(petamethylphenyl)gallium, (Me5C6)(3)Ga, was prepared by reaction of pentamethylphenylmagnesium bromide with gallium(III) chloride in diethyl ether. The title compound, characterized by H-1 and C-13 NMR, elemental analyses, and single crystal X-ray diffraction, crystallizes in the P1 (No. 2) space group with a = 9.003(9) Angstrom b = 10.713(1) Angstrom, c = 16.066(2) Angstrom, alpha = 107.63 (3)degrees, beta = 97.63 (3)degrees, gamma = 90.08(3)degrees, for Z = 2. Refinement converged at R-1 = 0.050, wR(2) = 0.11. The pentamethylphenyl ligands are configured about the gallium center in a propeller fashion at angles of 67.3degrees, 62.3degrees, and 60.9degrees. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(01)01034-8