| 1253216-14-6

• CAS: 1253216-14-6
• 化学式: C₂₄H₂₀B*C₄₀H₄₆AlO₄
• 分子量: 937.018
• InChiKey: LDLFJJQAOMDMBX-UHFFFAOYSA-N

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：
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• 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：

  二苯甲酮 、 [Al(η1-C3H5)2(THF)2][BPh4] 以 氘代四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Bis(allyl)aluminum Cation, Tris(allyl)aluminum, and Tetrakis(allyl)aluminate: Synthesis, Characterization, and Reactivity

  摘要：

  Cationic, neutral, and anionic aluminum allyl compounds were synthesized, and their reactivity toward electrophiles was studied. The THF adduct of the previously elusive tris(allyl)aluminum, [Al(eta(1)-C3H5)(3)(THF)] (1), was isolated as an oil, Protonolysis of one allyl ligand in 1 using [NEt3H]- [BPh4] gave the cationic bis(allyl)aluminum, a fragment of the crystalline [Al(eta(1)-C3H5)(2)(THF)(3-n)](+)- [BPh4](-)center dot(n+1)THF(n = 0, 1) (2). Single-crystal X-ray diffraction of [Al(eta(1)-C3H5)(2)(THF)(2)](+)[BPh4](-) (2a) revealed a tetrahedral aluminum center, while [Al(eta(1)-C3H5)(2)(THF)(3)](+)[BPh4](-) (2b) contains a trigonal-bipyramidal aluminum center with both allyl ligands in the equatorial plane. The tetrakis(allyl)aluminate K+[Al(eta(1)-C3H5)(4)](-) (3) was also synthesized from the reaction of 1 with K(C3H5). Reactions of the allyl compounds 1-3 with (i) benzophenone, (ii) allyl halides C3H5X (X = Cl, Br, I), and (iii) halogen X-2 (X = Br, I) showed considerable difference with respect to the ionic charge of the aluminum allyl.

  DOI：

  10.1021/om100809h