AlH(2,6-di-tert-butyl-4-methylphenyl)2(OEt) | 141635-57-6

• 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: AlH(2,6-di-tert-butyl-4-methylphenyl)2(OEt)
• 英文别名: Bis(2,6-ditert-butyl-4-methylphenoxy)alumane;ethoxyethane
• CAS: 141635-57-6
• 化学式: C₃₄H₅₇AlO₃
• 分子量: 540.806
• InChiKey: SMNIPJWUKLQDQD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.26
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  AlH(2,6-di-tert-butyl-4-methylphenyl)2(OEt) 在 CH₂Cl₂ 作用下， 以 甲苯 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Sterically crowded aryloxide compounds of aluminium: hydrides and homoleptic aryloxides

  摘要：

  Interaction of [AlH3(NMe3)] and [AlH2Cl(NMe3)] with HOR1 (R1 = C6H2But2-2,6-Me-4) allows for the isolation of [AlH2(OR1)(NMe3)] 1 and [Al(H)Cl(OR1)(NMe3)] 2 respectively. Compound 1 exists in both mono- and di-meric forms in the solid state. The reaction of 1 with NH2But results in ligand redistribution to give [AlH(OR1)2(NH2But)] 3. Similarly, multiple recrystallisation of 1 from Et2O allows for the isolation of [AlH(OR1)2(OEt2)] 4, while addition of HOR2 (R2 = C6H3Ph2-2,6) to 1 yields the mixed aryloxide complex [AlH(OR1)(OR2)(NMe3)] 5. Interaction of compound 1 with benzophenone results in the formation of the bridged dimer [{AlH(OR1)(mu-OCHPh2)}2] 6. The reaction of 3 molar equivalents of HOR1 with LiAlH4 yields, in addition to [{Li(OR1)(OEt2)}2], compound 4, which reacts further with H2O, HOR1 or NH2C6H2Cl3-2,4,6 to give [{Al(mu-OH)(OR1)2}2] 7, [Al(OR1)3] 8 or [Al(OR1)2(NHC6H2Cl3-2,4,6)] 13 respectively. Compounds 8 and 13 form stable Lewis acid-base complexes [Al(OR1)3L] [L = MeCN 9, pyridine (py) 10, O=PPh3 11 or O=C(C5H9)But-4 12] and [Al(OR1)2(NHC6H2Cl3-2,4,6)L] (L = Et2O 14, py 15 or 3,5-dimethylpyridine 16). The presence of a slow ligand exchange for compounds 9 and 12 was investigated by H-1 NMR spectroscopy. The molecular structures of 1, 3, 4, 8 and 12 have been confirmed by X-ray crystallography.

  DOI：

  10.1039/dt9930000441
• 作为产物：
  描述：

  乙醚 、 (2,6-di-tert-butyl-4-methylphenoxo)dihydrido(trimethylamine)aluminium(III) 以 乙醚 为溶剂， 以<10的产率得到AlH(2,6-di-tert-butyl-4-methylphenyl)2(OEt)
  参考文献：
  名称：

  Sterically crowded aryloxide compounds of aluminium: hydrides and homoleptic aryloxides

  摘要：

  Interaction of [AlH3(NMe3)] and [AlH2Cl(NMe3)] with HOR1 (R1 = C6H2But2-2,6-Me-4) allows for the isolation of [AlH2(OR1)(NMe3)] 1 and [Al(H)Cl(OR1)(NMe3)] 2 respectively. Compound 1 exists in both mono- and di-meric forms in the solid state. The reaction of 1 with NH2But results in ligand redistribution to give [AlH(OR1)2(NH2But)] 3. Similarly, multiple recrystallisation of 1 from Et2O allows for the isolation of [AlH(OR1)2(OEt2)] 4, while addition of HOR2 (R2 = C6H3Ph2-2,6) to 1 yields the mixed aryloxide complex [AlH(OR1)(OR2)(NMe3)] 5. Interaction of compound 1 with benzophenone results in the formation of the bridged dimer [{AlH(OR1)(mu-OCHPh2)}2] 6. The reaction of 3 molar equivalents of HOR1 with LiAlH4 yields, in addition to [{Li(OR1)(OEt2)}2], compound 4, which reacts further with H2O, HOR1 or NH2C6H2Cl3-2,4,6 to give [{Al(mu-OH)(OR1)2}2] 7, [Al(OR1)3] 8 or [Al(OR1)2(NHC6H2Cl3-2,4,6)] 13 respectively. Compounds 8 and 13 form stable Lewis acid-base complexes [Al(OR1)3L] [L = MeCN 9, pyridine (py) 10, O=PPh3 11 or O=C(C5H9)But-4 12] and [Al(OR1)2(NHC6H2Cl3-2,4,6)L] (L = Et2O 14, py 15 or 3,5-dimethylpyridine 16). The presence of a slow ligand exchange for compounds 9 and 12 was investigated by H-1 NMR spectroscopy. The molecular structures of 1, 3, 4, 8 and 12 have been confirmed by X-ray crystallography.

  DOI：

  10.1039/dt9930000441

文献信息

• Haely, Matthew, D.; Barron, Andrew R., Angewandte Chemie, 1992, vol. 104, p. 939 - 941
  作者：Haely, Matthew, D.、Barron, Andrew R.

  DOI：——

  日期：——
• Sterically crowded aryloxides of aluminum: intramolecular coordination of bidentate ligands
  作者：Julie A Francis、Simon G Bott、Andrew R Barron

  DOI：10.1016/s0022-328x(99)00571-9

  日期：2000.3

  Reactions of (BHT)(2)Al(H)(Et2O) (BHT-H = HOC6H2-2,6-'Bu-2-4-Me) with HOCH2CH2EMex (E = O, S, x = 1; E = N, x = 2) yield dimeric species, [(BHT)Al(H)(mu-OCH2CH2NMe2)](2) (2), [(BHT)Al(H)(mu-OCH2CH2OMe)](2) (3), [(BHT)Al(H)(mu-OCH2CH2SMe)](2) (4), respectively or [(BHT)Al(OCH2CH2NMe2)(mu-OCH2CH2NMe2)](2) (5), [(BHT)Al(OCH2CH2OMe)(mu-OCH2CH2OMe)](2) (6) and [(BHT)Al(OCH2CH2SMe)(mu-OCH2CH2SMe)](2) (7), respectively, depending on the stoichiometry of the reaction. The non-bridged donor atoms interact intramolecularly to form five-coordinate aluminum centers. A mixture of (BHT)Li(Et2O) and (BHT)(2)Al(H)(Et2O), formed from the reaction of LiAlH4 and BHT-H, reacts with the aforementioned alcohols to yield the monomeric structures (BHT)(2)Al(mu-OCH2CH2NMe2)(2)Li (8), (BHT)(2)Al(mu-OCH2CH2OMe)(2)Li (9), (BHT)(2)Al(mu-OCH2CH2SMe)(2)Li (10), respectively. If the reaction is carried out with an excess of HOCH2CH2SMe, the solvate of compound 10 is formed, (BHT)(2)Al(mu-OCH2CH2SMe)(2)Li(HOCH2CH2SMe) (11). The lithium cation in compounds 8-11 is stabilized in the structure by formation of bonds with both the anionic oxygens as well as the neutral donor ligands. The bond Valencies have been calculated for Al and Li in compounds 8 and 11. (C) 2000 Elsevier Science S.A. All rights reserved.