[(2,2'-methylenebis(4-chloro-6-isopropyl-3-methylphenolato)Al(μ-OPr-i)]2 | 384827-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2,2'-methylenebis(4-chloro-6-isopropyl-3-methylphenolato)Al(μ-OPr-i)]2
• 英文别名: dialuminum;4-chloro-2-[(3-chloro-2-methyl-6-oxido-5-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenolate;propan-2-olate
• CAS: 384827-88-7
• 化学式: C₄₈H₆₂Al₂Cl₄O₆
• 分子量: 930.792
• InChiKey: KSAXAHKHQRUOGI-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  15.26
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双氯麝酚 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [(2,2'-methylenebis(4-chloro-6-isopropyl-3-methylphenolato)Al(μ-OPr-i)]2
  参考文献：
  名称：

  Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum:  Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones

  摘要：

  The reaction of 2,2 ' -methylenebis(4-chloro-6-isopropyl-3-methylphenol) (MCIMP-H(2)) with 1.2 molar equiv of AlMe(3) in THF yields [(MCIMP)AlMe(THF)] (1), which further reacts with a stoichiometric amount of 2-propanol (IPA), affording the isopropoxy-bridged dimer [(MCIMPAl(mu -O(i)Pr)](2) (2). Compound 2 can also be obtained by the treatment of MCIMP-H(2) with a stoichiometric amount of Al(O(i)Pr)(3) in refluxing toluene. However, the reaction of 1 with another 1 equiv of AlMe(3) in CH(2)Cl(2) furnishes [Me(2)Al(mu -MCIMP)AlMe(2)(THF)] (3), in which the MCIMP(2-) ligand is acting as a bridging ligand. Further treatment of compound 3 with 2 molar equiv of 2-propanol results in the formation of the isopropoxy-bridged dinuclear aluminum complex [(MCIMP)Al(mu -O(i)Pr)(2)AlMe(2)] (4). Compound 4 can be directly obtained from the reaction of 1 with AlMe3 in the presence of 2-propanol. However, in the presence of a stoichiometric amount of H(2)O, hydrolysis of 1 in THF gives the trimeric aluminum compound [(MCIMP)Al(mu -OH(. . .)THF)](3) (5), in which the hydroxy group acts as a chelating group bridging to two aluminum atoms. Compounds 2 and 4 have shown excellent catalytic activity toward the ring-opening polymerization of epsilon -caprolactone and delta -valerolactone.

  DOI：

  10.1021/om010425+