dichloroaluminum benzoate | 1196501-70-8

• 英文名称: dichloroaluminum benzoate
• 英文别名: [Cl2Al(μ-O2CPh)]2；[Cl2AlO2CPh]2
• CAS: 1196501-70-8
• 化学式: C₁₄H₁₀Al₂Cl₄O₄
• 分子量: 438.006
• InChiKey: YSWUBJJDXVJWLL-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚 、 dichloroaluminum benzoate 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
• 作为产物：
  描述：

  甲基二氯化铝 、 苯甲酸 以 正己烷 、 二氯甲烷 为溶剂， 以90%的产率得到dichloroaluminum benzoate
  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

文献信息

• Structure Investigations of Dichloroaluminum Benzoates: An Unprecedented Example of a Monomeric Aluminum Complex with a Chelating Carboxylate Ligand
  作者：Zbigniew Florjańczyk、Wojciech Bury、Ewa Zygadło-Monikowska、Iwona Justyniak、Robert Balawender、Janusz Lewiński

  DOI：10.1021/ic9016307

  日期：2009.12.7

  Dichloroaluminum benzoate and its adducts with Lewis bases show a large structural variety from molecular complexes to ionic species as indicated by X-ray diffraction, spectroscopic studies, and quantum-chemical calculations.