[Me2Al(ethyl lactato)]2 | 195878-89-8

• 英文名称: [Me2Al(ethyl lactato)]2
• CAS: 195878-89-8；220348-79-8
• 化学式: C₁₄H₃₀Al₂O₆
• 分子量: 348.352
• InChiKey: YKGDGJINTAUYLS-PTYMMGMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为反应物：
  描述：

  三甲基铝 、 [Me2Al(ethyl lactato)]2 以 二氯甲烷 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Alkylaluminum Alkoxides Derived from Donor-Functionalized Alcohols:  Factors Controlling the Formation and Redistribution of Products

  摘要：

  The reaction of R*R*-[Me2Al(mu-elac)](2) (1) (where elac = deprotonated rac-ethyl lactate) with Me3Al results in the quantitative formation of the Lewis acid-base adduct R*R*-[Me2Al(mu-elac.AlMe3)](2) (2). Under ambient conditions the tetranuclear dimer 2 obtained as an oily substance changes gradually to give a white crystalline solid, which was identified as the monomeric binuclear adduct Me2Al(elac).AlMe3 (3). Compound 3 is also formed directly when 2 equiv of Me3Al reacts at -78 degreesC with 1 equiv of elac-H in CH2Cl2 solution. In contrast, the reaction of conjugated hydroxycarbonyl ligand, methylsalicylate (mesal-H), with 2 equiv of Me3Al yields exclusively Me2Al(mesal)AlMe3 (4), irrespectively of the conditions applied. The implications of the differences in products are discussed with respect to the reaction conditions and the ligand identity. The molecular structure of compound 4 was determined by X-ray crystallography. The structure of 4 consists of a dinuclear monomer in which an AlMe3 molecule is complexed to the aryloxide oxygen of the monomeric dimethylaluminum chelate complex. The geometry and orientation of the Me3Al unit and the C(12)...Al(2) distance all indicate that there is a weak noncovalent interaction between one methyl group of Me3Al and the metal center of the Me2Al unit. For 3 and 4 the exchange of the methyl groups between the two aluminum centers occurs, for which DeltaG(302k)(double dagger) = 69.7 +/- 1 kJ mol(-1) and DeltaG(328k)(double dagger) = 77.0 +/- 1 kJ mol(-1), respectively, were determined, and the mechanism of exchange reactions is discussed.

  DOI：

  10.1021/om049664y
• 作为产物：
  描述：

  乳酸乙酯 、 三甲基铝 以 甲苯 为溶剂， 以99%的产率得到[Me2Al(ethyl lactato)]2
  参考文献：
  名称：

  确定二烷基的重排电子因素Ø，Ô “螯合物化合物从二聚五到单体四配位的溶出物。α-和β-羟基羰基化合物的二烷基铝螯合物的结构研究

  摘要：

  合成和二烷基铝的结构表征ø，ö “ -螯合物配合物从α-和β羟基羰基化合物衍生的：α-托酚酮（tropH），乙基外消旋-乳（elacH）和2-乙酰基-4-氯苯酚（报道了具有饱和和共轭不饱和键系统的C1- acphH）。R 3 Al与等摩尔量的羟基羰基化合物的反应导致形成[R 2 Al（O，O '）] n螯合物[其中O，O '= Cl -acph，R = Me（1a）; trop，R = Et（2b）; elac，R = Me（3）]。根据X射线研究，这些化合物为固态二聚体。铝原子采用扭曲的三角双锥体几何结构，具有长的内部（在1a和2b中）或外部（在3中）Al-O轴向键。另外，复合物3具有C 2对称性，这表明五配位的[R 2 Al（O，O '）] 2型加合物以高度立体选择性的方式形成。在溶液1a和2b中，加合物重排为单体四配位螯合物，而3如通过低温分子量测定以及1 H和27 Al NMR和I

  DOI：

  10.1021/om961054d