[Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))(μ-OC6H4-p-Cl)(O=CHC6H4-p-Cl)]2 | 271779-92-1

• 英文名称: [Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))(μ-OC6H4-p-Cl)(O=CHC6H4-p-Cl)]2
• CAS: 271779-92-1
• 化学式: C₈₈H₁₁₀Al₂Cl₄O₈
• 分子量: 1491.61
• InChiKey: LNPFGNGQGCPUEY-UHFFFAOYSA-J

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：

  [Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))(μ-OPr-i)]2 、 4-氯苯甲醛 以 二氯甲烷 为溶剂， 以81%的产率得到[Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))(μ-OC6H4-p-Cl)(O=CHC6H4-p-Cl)]2
  参考文献：
  名称：

  Preparation, Characterization, and Reactions of [(EDBP)Al(μ-OⁱPr)]₂, a Novel Catalyst for MPV Hydrogen Transfer Reactions

  摘要：

  The reaction of [(mu-EDBP)AlMe](2) (EDBP-H-2 = 2,2'-ethylidenebis(4,6-di-tert-butylphenol) with 2 mol equiv of 2-propanol at ambient temperature yields [(EDBP)Al(mu-(OPr)-Pr-i)](2) (1), which has shown excellent catalytic activities toward hydrogen transfer reactions between aldehydes and 2-propanol (Meerwein-Ponndorf-Verley (MPV) reactions). The addition of 4 mol equiv of benzaldehyde, 4-methoxybenzaldehyde, or 4-chlorobenzaldehyde to [(EDBP)Al(mu-(OPr)-Pr-i)](2) yields [(EDBP)Al(mu-OBz-p-X)(O=CHC6H4-p-X)](2) (2, X = H; 3, X = OMe; 4, X = Cl). However, in the reaction of 1 with excess 4-nitrobenzaldehyde, only the four-coordinated complex [(EDBP)Al(mu-OBz-p-NO2)](2) (5) was obtained. Complex 1 further reacts with 2 mol equiv of OPPh3 or hexamethylphosphoramide (HMPA), yielding the four-coordinated monomeric complex [(EDBP)Al((OPr)-Pr-i)(S)] (6, S = OPPh3; 7, S = HMPA). Compounds 1, 3, 6, and 7 have been characterized by X-ray crystal structure determinations, enabling us to describe the intermediate of the MPV reactions.

  DOI：

  10.1021/om9909690