| 459867-49-3

• CAS: 459867-49-3
• 化学式: C₃₄H₇₃Al₃O₄
• 分子量: 626.896
• InChiKey: KXWKLRXYKJGXNG-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：
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• 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：

  2,4-dimethyl-2,4-pentanediol 、 三异丁基铝 以 乙醚 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Steric effects in alkylalane dioldiates

  摘要：

  The dependence of the structure of alkylalane dioldiates on the steric bulk of the substituents on the aluminium, as well as steric hindrances of diol moiety is reported. Reactions of R3Al [where R = Bu-i, Bu-t] with 2,4-dimethylpentane-2,4-diol, butane-1,4-diol and propane-1,3-diol lead to the formation of alkylalane dioldiates, [(BuAl)-Bu-t(OC(CH3)(2)CH2C(CH3)(2)O)](2) (1), (Bu5Al3)-Bu-i[(OC(CH3)(2)CH2C(CH3)(2)O)](2) (2) [(Bu2Al)-Bu-t(O(CH2)(4)OH)](2) (3),(Bu5Al3)-Bu-i(O(CH2)(4)O)(2) (4) and (Bu5Al3)-Bu-t(O(CH2)(3)O)(2) (5). The molecular structures of I and 3 have been determined by single crystal X-ray diffraction. In the reactions of (Bu3Al)-Bu-i with diols the trinuclear complexes of the general formula [R5Al3(diol-(2H))(2)] (2 and 4) are formed irrespective of the diol moiety steric hindrances. (Bu3Al)-Bu-t reacts with diols to yield the products depending on the length of diol backbone and steric hindrances of the diol moiety. The interaction of the sterically crowded 2,4-dimethylpentane-2,4-diol with (Bu3Al)-Bu-t gives the new (monoalkyl)alane O,O'-chelate complex 1. In the case of unhindered aliphatic diols like butane-1,4-diol and propane-1, 3-diol, the compound 3 with the strong intramolecular hydrogen bonding interaction and the trimetallic compound 5 were obtained, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01256-1