[Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))I(Et2O)] | 264916-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: [Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))I(Et2O)]
• 英文别名: ethoxyethane;1,3,7,9-tetratert-butyl-11-iodo-5-methyl-5H-benzo[d][1,3,2]benzodioxalumocine
• CAS: 264916-84-9
• 化学式: C₃₄H₅₄AlIO₃
• 分子量: 664.687
• InChiKey: LSFMGANFUOTZJA-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  [Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))I(Et2O)] 、 三苯基氧化膦 以 甲苯 为溶剂， 以89%的产率得到[Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))(triphenylphosphine oxide)]I
  参考文献：
  名称：

  Syntheses of cationic four-coordinated aluminum complexes: counter-ion induced aggregation through the NH⋯I hydrogen bonds

  摘要：

  Synthesis of cationic aluminum complexes from the reactions of Lewis bases with Me2AlI is reported. The reactions of two molar equivalents of(S)-(-)-1-phenylethylamine, (R)-(-)-pantolactone (PL-H), or (S)-(-)-ethyl lactate (EL-H) with Me,AII (1), generated in situ from the reaction of Me3Al with one molar equivalent of I-2 in toluene at room temperature, afford white crystalline solids [Me2Al((S)-NH2(Ph)C(H)CH3)(2)]I-+(-) (2), [(PL)(2)Al]I-+(-) (3) or [(EL)(2)Al]I-+(-) (4), respectively. However, Me3Al reacts with one molar equivalent of PL-H producing [(Me2Al(mu-PL))(2) (5). The reaction of Me2AlI with 2,2'-ethylidene-bis-(4,6-di-tert-butylphenol) (EDBP-H-2) yields [Al(EDBP)I(Et2O)] (6) which further reacts with one molar equivalent or two molar equivalents of OPPh3 giving a neutral complex [Al(EDBP)(OPPh3)I] (7) or a cationic complex [Al(EDBP)(OPPh3)(2)]I-+(-) (8). However, the cationic aluminum derivative [Al(EDBP)(HMPA)(2)]I-+(-) (9) is prepared from the reaction of 6 with excess of HMPA. Crystal structures of 2, 5, and 8 determined by X-ray diffraction method are also presented. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00641-5
• 作为产物：
  描述：

  乙醚 、 碘 、 三甲基铝 、 2,2′-亚乙基双(4,6-二叔丁基酚) 以 乙醚 、 甲苯 为溶剂， 以79%的产率得到[Al(2,2'-ethylidenebis(4,6-di-tert-butylphenolato))I(Et2O)]
  参考文献：
  名称：

  Syntheses of cationic four-coordinated aluminum complexes: counter-ion induced aggregation through the NH⋯I hydrogen bonds

  摘要：

  Synthesis of cationic aluminum complexes from the reactions of Lewis bases with Me2AlI is reported. The reactions of two molar equivalents of(S)-(-)-1-phenylethylamine, (R)-(-)-pantolactone (PL-H), or (S)-(-)-ethyl lactate (EL-H) with Me,AII (1), generated in situ from the reaction of Me3Al with one molar equivalent of I-2 in toluene at room temperature, afford white crystalline solids [Me2Al((S)-NH2(Ph)C(H)CH3)(2)]I-+(-) (2), [(PL)(2)Al]I-+(-) (3) or [(EL)(2)Al]I-+(-) (4), respectively. However, Me3Al reacts with one molar equivalent of PL-H producing [(Me2Al(mu-PL))(2) (5). The reaction of Me2AlI with 2,2'-ethylidene-bis-(4,6-di-tert-butylphenol) (EDBP-H-2) yields [Al(EDBP)I(Et2O)] (6) which further reacts with one molar equivalent or two molar equivalents of OPPh3 giving a neutral complex [Al(EDBP)(OPPh3)I] (7) or a cationic complex [Al(EDBP)(OPPh3)(2)]I-+(-) (8). However, the cationic aluminum derivative [Al(EDBP)(HMPA)(2)]I-+(-) (9) is prepared from the reaction of 6 with excess of HMPA. Crystal structures of 2, 5, and 8 determined by X-ray diffraction method are also presented. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00641-5