Li[2,6-(2,6-Cl2C6H3)2C6H3] | 1289205-42-0

• 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: Li[2,6-(2,6-Cl2C6H3)2C6H3]
• CAS: 1289205-42-0
• 化学式: C₁₈H₉Cl₄Li
• 分子量: 374.022
• InChiKey: OPLQGQLWMCNJMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.43
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Li[2,6-(2,6-Cl2C6H3)2C6H3] 、 氯化二乙基铝 以 正己烷 为溶剂， 以68%的产率得到AlEt2[2,6-(2,6-Cl2C6H3)2C6H3]
  参考文献：
  名称：

  Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds

  摘要：

  The cationic m-terphenyl-substituted organoaluminum compounds [Dipp*AlEt][CH(6)B(11)Cl(6)] (3; Dipp* = 2,6- (2,6-Cl(2)C(6)H(3))(2)C(6)H(3)-), [DCpAlEt][CH(6)B(11)Cl(6)] (4; Dcp = 2,6-(2,6-Cl(2)C(6)H(3))(2)C(6)H(3)), [Dipp*AlEt] [CH(6)B(11)I(6)] (5), and [DcpAlEt][CH(6)B(11)I(6)] (6) have been obtained by ethide elimination through trityl or preferably silylium salts from the precursors Dipp*AlEt(2) (1) and DcpAlEt(2) (2). The crystal structures of compounds 3-5 reveal the presence of cation anion adducts involving two halides of the carborane anions, and the NMR spectroscopic data and solubility properties indicate such an interaction for 6. The interactions of the hexaiodocarborane anion with the [Dipp*AlEt](+) cation are stronger than those of the hexachlorocarborane anion. Interestingly, cation center dot center dot center dot anion contacts are preferred to intramolecular Al center dot center dot center dot Cl interactions in the Dcp species 4. Compound 4 forms the bisamine adduct [DcpAlEt(NH(2)t-Bu)(2)] [CH(6)B(11)I(6)] (8) upon exposure to tBuNH(2), and compounds 3 and 4 slowly catalyze the alkylation of benzene with 1-hexene. The compounds have been characterized by (1)H, (13)C, and (11)B NMR spectroscopy and by X-ray crystallogrzphy in the case of 1-5, 7, and 8.

  DOI：

  10.1021/om200120y