[AlCl2(DME)2][AlCl4] | 1353634-49-7

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: [AlCl2(DME)2][AlCl4]
• 英文别名: dialuminum;1,2-dimethoxyethane;hexachloride
• CAS: 1353634-49-7
• 化学式: AlCl₄*C₈H₂₀AlCl₂O₄
• 分子量: 446.925
• InChiKey: QGKSAFOSDNBGMO-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  -18.18
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  乙二醇二甲醚 、 以 二氯甲烷 为溶剂， 以99%的产率得到[AlCl2(DME)2][AlCl4]
  参考文献：
  名称：

  Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes

  摘要：

  A series of dichloroaluminum carboxylates [Cl2Al(O2CR)](2) (were R = Ph (1a), Bu-t (1b), CHCH2 (1c) and C11H23 (Id)) were prepared and extended investigations on their structure and reactivity toward various Lewis bases and H2O performed. Compounds [Cl2Al(O2CR)](2) and their adducts with Lewis bases show a large structural variety, featuring both molecular and ionic forms with different coordination numbers of the metal center and various coordination modes of the carboxylate ligand. Upon addition of a Lewis base of moderate strength the molecular form [Cl2Al(O2CR)](2) equilibrates with new ionic forms. In the presences of 4-methylpyridine the six-coordinate Lewis acid-base adducts [Cl2Al(lambda(2)-O2CR)(py-Me)(2)] [R = Ph (3a), Bu-t (3b)] with a chelating carboxylate ligand were formed. The reactions of la, 1b, and Id with 0.33 equiv of H2O in THF-toluene solution lead to oxo carboxylates [(Al3O)(O2CR)(6)(THF)(3)] [AlCl4] [where R = Ph (4a(THF)), Bu-t (4b(THF)), and C11H23 (4d(THF))] in high yield. The similar reaction of 1c in tetrahydrofuran (THF) afforded the chloro(hydroxo)aluminum acrylate [(ClAl)(2)(OH)-(O2CC2H3)(2) (THF)4][AlCl4] (5), while the hydrolysis of 1b in MeCN lead to the hydroxoaluminum carboxylate [Al-2(OH)((O2CBu)-Bu-t)(2)(MeCN)(6)][AlCl4)(3)] (6). All compounds were characterized by elemental analysis, H-1, Al-27 NMR, and IR spectroscopy, and the molecular structure of 1a, 3a, 3b, 4aTHF, 4bTHF, 4b(py-Me'),, 5, and 6 were determined by single-crystal X-ray diffraction. The study provides a platform for testing transformations of secondary building units in Al-Metal-Organic Frameworks toward H2O and neutral donor ligands.

  DOI：

  10.1021/ic2023924