| 160605-33-4

• CAS: 160605-33-4
• 化学式: C₃₆H₄₄Al₂Cl₂
• 分子量: 601.614
• InChiKey: YYCDZMZPODWWHC-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  trimesitylaluminum 、 三氯化铝 以 苯 为溶剂， 以57%的产率得到
  参考文献：
  名称：

  发光铝化合物的结构研究

  摘要：

  Four mesitylaluminum derivatives, Mes(3)Al.(4-picoline)(C7H8)(0.5) (1), EtMes(2)Al.THF (2), Mes(2)-ClAl.THF (3), and [Mes(2)Al(mu-Cl)](2) (4) (Mes = 2,4,6-trimethylphenyl), have been prepared and their structures determined by single crystal X-ray diffraction methods. Compound 1 crystallizes in the monoclinic space group C2/c (No. 15): a = 43.784(15) Angstrom, b = 8.901(1) Angstrom, c = 16.760(2) Angstrom, beta = 104.02(2)degrees, Z = 8, R = 10, and R(w) = 9.9. Compound 2 crystallizes in the orthorhombic space group P2(1)2(1)2(1) (No. 19): a = 12.057(9) Angstrom, b = 13.490(3) Angstrom, c = 14.037-(2) Angstrom, Z = 4, R = 5.4, and R(w) = 3.9. The halide derivative 3 crystallizes in the primitive monoclinic space group P2(1)/a (No. 14): a = 17.18(1) , b = 14.754(2) Angstrom, c = 17.316(2) Angstrom, beta = 92.74(3)degrees, Z = 8, R = 6.5, and R(w) = 2.4. The base-free compound 4 exists as a dimer and crystallizes in the space group P2(1)/c (No. 14): a 12.288(2) Angstrom, b = 15.824(3) Angstrom, c = 9.905(2) Angstrom, beta = 108.43(2)degrees, Z = 4, R = 5.4, and R(w) = 5.9. The distortion associated with 1, 2, and 3 relative to the parent monomeric molecule, Mes(3)Al, is discussed with respect to substitution of the mesityl group for the Cl and Et ligands.

  DOI：

  10.1021/om00001a067