2-[2-(3,5-ditert-butylanilino)-6-methylphenyl]-N-(3,5-ditert-butylphenyl)-3-methylaniline | 474902-41-5

• 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-(3,5-ditert-butylanilino)-6-methylphenyl]-N-(3,5-ditert-butylphenyl)-3-methylaniline
• CAS: 474902-41-5
• 化学式: C₄₂H₅₆N₂
• 分子量: 588.92
• InChiKey: BHGDDPBQYVZBKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 2-[2-(3,5-ditert-butylanilino)-6-methylphenyl]-N-(3,5-ditert-butylphenyl)-3-methylaniline 以 甲苯 为溶剂， 以61.5%的产率得到(3,5-ditert-butylphenyl)-[2-[2-(3,5-ditert-butylphenyl)azanidyl-6-methylphenyl]-3-methylphenyl]azanide;dimethylazanide;zirconium(4+)
  参考文献：
  名称：

  Chiral Biarylamido Complexes of Zirconium

  摘要：

  The palladium-catalyzed arylation of 2,2'-diamino-6,6'-dimethylbiphenyl with (variously) bromo-3,5-di-tert-butylbenzene, 2-bromopyridine, 2-methylbromopyridine, bromomesitylene, and 2-bromo-4-methylanisole gives three C-2-symmetric and three C-1-symmetric biaryl-bridged diamino proligands H2L. The subsequent amine elimination (protonolysis) reactions of these with tetrakis(dimethylamido)zirconium yields a range of crystalline complexes [Zr(L)(NMe2)(2)]. X-ray crystallography reveals molecular structures of five examples with ligated amido, aminopridinato, and aminoanisolato units.

  DOI：

  10.1021/om020471p

文献信息

• Chiral Biarylamido Complexes of Zirconium
  作者：Paul N. O'Shaughnessy、Kevin M. Gillespie、Colin Morton、Ian Westmoreland、Peter Scott

  DOI：10.1021/om020471p

  日期：2002.10.1

  The palladium-catalyzed arylation of 2,2'-diamino-6,6'-dimethylbiphenyl with (variously) bromo-3,5-di-tert-butylbenzene, 2-bromopyridine, 2-methylbromopyridine, bromomesitylene, and 2-bromo-4-methylanisole gives three C-2-symmetric and three C-1-symmetric biaryl-bridged diamino proligands H2L. The subsequent amine elimination (protonolysis) reactions of these with tetrakis(dimethylamido)zirconium yields a range of crystalline complexes [Zr(L)(NMe2)(2)]. X-ray crystallography reveals molecular structures of five examples with ligated amido, aminopridinato, and aminoanisolato units.