[(AliBu2{μ2-O2P(OSiMe3)2})2] | 1579253-62-5

• 英文名称: [(AliBu2{μ2-O2P(OSiMe3)2})2]
• CAS: 1579253-62-5
• 化学式: C₂₈H₇₂Al₂O₈P₂Si₄
• 分子量: 765.127
• InChiKey: CFQNJIHJUTXWEZ-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  三异丁基铝 、 双三甲基硅基磷酸氢酯 以 正己烷 为溶剂， 反应 48.0h， 以65%的产率得到[(AliBu2{μ2-O2P(OSiMe3)2})2]
  参考文献：
  名称：

  Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit

  摘要：

  New molecular aluminophosphates of different nuclearity are synthesized by a stepwise process and structurally characterized. The alkane elimination reaction of bis(trimethylsiloxy)phosphoric acid, OP-(OH)(OSiMe3)(2), with trialkylalanes, AlR3 (R = Me, Et, Bu-i), provides the cyclic dimeric aluminophosphates, [(AlR2{mu(2)-O2P(OSiMe3)(2)})(2)) (R = Me (1), Et (2), Bu-i (3)). Unsymmetrically substituted cyclic aluminophosphonate [(AlMe2{mu(2)-O2P(OSiMe3)((c)Hex)})(2)] (cis/trans-4) is prepared by dealkylsilylation reaction of (c)HexP(O)(OSiMe3)(2) with AlMe3. Molecules 1-4 containing the [Al-2(mu(2)-O2P)(2)] inorganic core are structural and spectroscopic models for the single four-ring (S4R) secondary building units (SBU) of zeolite frameworks. Compound 1 serves as a starting point in construction of larger molecular units by reactions with OP(OH)(OSiMe3)(2) as a cage-extending reagent and with diketones, such as Hhfacac (1,1,1,5,5,5-hexafluoropentan-2,4-dione) and Hacac (pentan-2,4-dione), as capping reagents. Reaction of 1 with 4 equiv of Hhfacac leads to new cyclic aluminophosphate [(Al(hfacac)(2){mu(2)-O2P(OSiMe3)(2)})(2)] (5), existing in two isomeric (D-2 and C-2h) forms. Reaction of 1 with 2 equiv of OP(OH)(OSiMe3)(2) and 1 equiv of Hhfacac provides a molecular aluminophosphate [AlMe{Al(hfacac)}(2){mu(3)-O3P(OSiMe3)}(2){mu(2)-O2P(OSiMe3)(2)}(2){OP-(OSiMe3)(3)}] (6), while by adding first the Hhfacac and using 3 equiv of OP(OH)(OSiMe3)(2) we isolate [Al{Al(hfacac)}(2){mu(3)-O3P(OSiMe3)}(2){mu(2)-O2P(OSiMe3)(2)}(2)H{OP(O)(OSiMe3)(2)}(2)] (7). These molecules contain units in their cores that imitate 4=1 SBU of zeolite frameworks. Reaction with the order of component mixing 1, Hhfacac, OP(OH)(OSiMe3)(2) at a 1:2:2 molar ratio lead to formation of a larger cluster [(Al(AlMe){Al(hfacac)}{mu(3)-O3P(OSiMe3)}(2){mu(2)-O2P(OSiMe3)(2)}(3))(2)] (8) containing both S4R and 4=1 structural units. Similarly, Hacac (pentan-2,4-dione) provides an isostructural [Al(AlMe){Al(acac)}{mu(3)-O3P(OSiMe3)}(2){mu(2)-O2P(OSiMe3)(2)}(3))(2)] (9). Both molecules display Al centers in three different coordination environments.

  DOI：

  10.1021/ic500083a