Bis(2,6-di-tert-butylphenoxy)isobutylaluminium | 136197-65-4

• 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: Bis(2,6-di-tert-butylphenoxy)isobutylaluminium
• 英文别名: Bis(2,6-ditert-butylphenoxy)-(2-methylpropyl)alumane
• CAS: 136197-65-4
• 化学式: C₃₂H₅₁AlO₂
• 分子量: 494.737
• InChiKey: YRIMUVMZMVUPKD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.48
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Bis(2,6-di-tert-butylphenoxy)isobutylaluminium 、 乙醚 、 tin(ll) chloride 以 乙醚 为溶剂， 以62%的产率得到bis(2,6-di-tert-butylphenoxy)chloroaluminum(diethylether)
  参考文献：
  名称：

  Synthesis and properties of homogeneous models of the Re2O7/Al2O3 metathesis catalyst

  摘要：

  The aim of this work was to synthesize and to study homogeneous models of the rhenium oxide on alumina metathesis catalyst. A series of aluminium complexes, (ArO)(2)Al-Y, has been synthesized, where ArO is a 4-substituted-2,6-di-tertbutylphenoxy ligand, or (ArO)(2) is a -CH2- or -S-ortho bridged-4,4'-di-tert-butyldiphenoxy ligand, and Y is an alkyl or chloride ligand. The reaction of (ArO)(2)Al-Cl with AgReO4 led to new complexes (ArO)(2)Al-OReO3 (A). These complexes exhibit a low activity in the metathesis of 2-pentene. Complexes (ArO)(2)Al-R (R = iBu, Et) react with Re2O7 in THF or dioxane, giving type B complexes including oligomeric linkages like O3Re-[Al(OAr)-O](2)-ReO3. They show a fairly high activity in the metathesis of 2-pentene, with TOF values as high as 100 min(-1). Complexes of type A may be converted into complexes of type B upon reaction with (ArO),Al-R in an ether solvent. The high activity of B complexes is tentatively related to the presence of Al-O-Al linkages that are known to induce a powerful bidentate Lewis acidity. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(00)00284-3
• 作为产物：
  描述：

  2,6-二叔丁基苯酚 、 三异丁基铝 以 正戊烷 为溶剂， 以69%的产率得到Bis(2,6-di-tert-butylphenoxy)isobutylaluminium
  参考文献：
  名称：

  Synthesis and properties of homogeneous models of the Re2O7/Al2O3 metathesis catalyst

  摘要：

  The aim of this work was to synthesize and to study homogeneous models of the rhenium oxide on alumina metathesis catalyst. A series of aluminium complexes, (ArO)(2)Al-Y, has been synthesized, where ArO is a 4-substituted-2,6-di-tertbutylphenoxy ligand, or (ArO)(2) is a -CH2- or -S-ortho bridged-4,4'-di-tert-butyldiphenoxy ligand, and Y is an alkyl or chloride ligand. The reaction of (ArO)(2)Al-Cl with AgReO4 led to new complexes (ArO)(2)Al-OReO3 (A). These complexes exhibit a low activity in the metathesis of 2-pentene. Complexes (ArO)(2)Al-R (R = iBu, Et) react with Re2O7 in THF or dioxane, giving type B complexes including oligomeric linkages like O3Re-[Al(OAr)-O](2)-ReO3. They show a fairly high activity in the metathesis of 2-pentene, with TOF values as high as 100 min(-1). Complexes of type A may be converted into complexes of type B upon reaction with (ArO),Al-R in an ether solvent. The high activity of B complexes is tentatively related to the presence of Al-O-Al linkages that are known to induce a powerful bidentate Lewis acidity. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(00)00284-3

文献信息

• Hydrolysis of isobutylaluminum aryloxides studied by 1H NMR and quantum chemical methods
  作者：E. E. Faingol’d、I. V. Zharkov、N. M. Bravaya、A. V. Chernyak

  DOI：10.1007/s11172-016-1536-3

  日期：2016.8

  AbstractThe results of 1H NMR and quantum chemical studies of hydrolysis of isobutylaluminum aryloxides are presented. According to the data of 1H NMR spectroscopy, the hydrolysis of monomeric diisobutylaluminum aryloxides (2,6-Bu2t—C6H3O)AlBu2i and (2,6-Bu2t,4-Me—C6H2O)AlBu2i occurs selectively at the Al—OAr bond to form the corresponding sterically bulky phenol and polyisobutylaluminoxane. At the

  摘要 介绍了异丁基铝芳基氧化物水解的1H NMR和量子化学研究结果。根据 1H NMR 谱数据，单体二异丁基铝芳基氧化物 (2,6-Bu2t-C6H3O)AlBu2i 和 (2,6-Bu2t,4-Me-C6H2O)AlBu2i 的水解选择性地发生在 Al-OAr 键上，形成相应的空间体积大的苯酚和聚异丁基铝氧烷。在Al:H2O=2的摩尔比下，形成的空间庞大的苯酚与二异丁基单芳基氧化物缓慢反应以形成异丁基二芳基铝氧化物。二聚芳基氧化物 [(2-But-C6H4O)AlBu2i]2 在类似条件下不会水解。量子化学计算证实了实验结果：