[((t)Bu)2Al(μ-OC6H4-2-OMe)]2 | 245350-17-8

• 英文名称: [((t)Bu)2Al(μ-OC6H4-2-OMe)]2
• CAS: 245350-17-8
• 化学式: C₃₀H₅₀Al₂O₄
• 分子量: 528.688
• InChiKey: NYRVMJOFDIAQSE-UHFFFAOYSA-L

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：
  None
• 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：

  三-叔-丁基铝 、 木榴油 以 正己烷 为溶剂， 以75%的产率得到[((t)Bu)2Al(μ-OC6H4-2-OMe)]2
  参考文献：
  名称：

  Are intramolecularly stabilized compounds of aluminum suitable structural models of the SN2 transition state? Molecular structure of [(tBu)2Al(μ-OC6H4-2-OMe)]2

  摘要：

  The synthesis and crystallographic characterization of [(Bu-t)(2)Al(mu-OC6H4-2-OMe)](2), when combined with the previously reported methyl, ethyl and iso-butyl analogs, allows for the structural comparison of the homologous series [R2Al(mu-OC6H4-2-OMe)](2) with the ideal structural changes that occur during the S(N)2-like cleavage of an aluminum alkoxide dimer with an intramolecular Lewis base. Ab initio calculations on the model system, [H2Al(mu-OCH2CH2OH)](2), confirm that in the absence of steric effects, intramolecularly stabilized compounds of aluminum are suitable structural models of the S(N)2 transition state. However, real compounds are not good models since the bond distances are controlled by the steric bulk of the alkyl substituents on adjacent aluminum centers rather than the extent of coordination of the fifth ligand. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00032-7