1-(4-tert-butylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene*pyridine | 332104-78-6

• 英文名称: 1-(4-tert-butylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene*pyridine
• CAS: 332104-78-6
• 化学式: C₅₇H₆₂BN
• 分子量: 771.937
• InChiKey: GBRZQOPOAQVJCJ-UHFFFAOYSA-N

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：

  吡啶 、 正己烷 、 2,6-(4-t-BuC6H4)2C6H3Br 、 chloroborane methyl sulfide complex 在 n-butyllithium 作用下， 以 正己烷 为溶剂， 以54%的产率得到1-(4-tert-butylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene*pyridine
  参考文献：
  名称：

  Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt

  摘要：

  The reaction of 2,6-(4-t-BuC6H4)(2)C6H3Li with BH2Cl . SMe2 in hexane or Et2O solution affords the terphenyl-substituted unsymmetrical 9-borafluorene 1-(4-tert-butylphenyl)-7-tertbutyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene (1) in good to moderate yields. Addition of pyridine gives the colorless crystalline adduct 1.py. Compound 1 is readily reduced to the deep red heteroaromatic dianionic (mu (2)-eta (5),eta (5)-1-(4-tert-butylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorenyl)bis(diethyl ether)dilithium (2) with excess lithium powder in Et2O solution. Reactions of the dianionic 2 with various metal salts leads to reduction of these salts, and bright yellow 1 is recovered in essentially quantitative yields. Compounds 1, 1.py, and 2 were characterized by H-1,C-13, and B-11 NMR spectroscopy and compounds 1.py and 2 also by single-crystal X-ray diffraction.

  DOI：

  10.1021/om000868y