2,6-diisopropylphenyl-(4-methyl-pyridin-2-yl)-amine | 915975-31-4

• 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: 2,6-diisopropylphenyl-(4-methyl-pyridin-2-yl)-amine
• 英文别名: (2,6-diisopropylphenyl)(4-methylpyridin-2-yl)amine；N-[2,6-di(propan-2-yl)phenyl]-4-methylpyridin-2-amine
• CAS: 915975-31-4
• 化学式: C₁₈H₂₄N₂
• 分子量: 268.402
• InChiKey: ROTZZECEMCKEOF-UHFFFAOYSA-N

物化性质

• 沸点：
  347.0±42.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 2,6-diisopropylphenyl-(4-methyl-pyridin-2-yl)-amine 在 n-BuLi 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Metal−Metal Bonding in Sterically Frustrated Dipalladium Species

  摘要：

  Stoichiometric-deficient lithiation of (2,6-diisopropylphenyl)(4-methylpyridin-2-yl)amine and reaction with [(cod)PdCl2] (cod = 1,5-cyclooctadiene) yield a dimeric Pd complex. X-ray structural analysis of this complex reveals a very short Pd-Pd distance (2.429 angstrom). Topological analysis of the electron density and the electron localization function from scalar relativistic density functional theory calculations clearly indicate a Pd(I)-Pd(I) sigma-bonding interaction, for which the corresponding occupied localized orbital can be identified.

  DOI：

  10.1021/ic0610987

文献信息

• How Common Are True Aminopyridinato Complexes?
  作者：Stefan Deeken、Günter Motz、Rhett Kempe

  DOI：10.1002/zaac.200600269

  日期：2007.2

  An overview over the binding situation in transition metal and lanthanide aminopyridinato complexes is given. True aminopyridinato complexes in which we observe a significant longer N-amido than N-pyridine bond length are rare and for instance observed for ruthenium. Additional examples of ruthenium aminopyridinato complexes were synthesized and characterized by X-ray crystal structure analysis.

  概述了过渡金属和镧系元素氨基吡啶配合物的结合情况。真正的氨基吡啶络合物，其中我们观察到明显长于 N-吡啶键长的 N-酰胺基是罕见的，例如观察到的钌。合成了氨基吡啶配合物的其他例子，并通过 X 射线晶体结构分析对其进行了表征。
• Metal−Metal Bonding in Sterically Frustrated Dipalladium Species
  作者：Stefan Deeken、Günter Motz、Viktor Bezugly、Horst Borrmann、Frank R. Wagner、Rhett Kempe

  DOI：10.1021/ic0610987

  日期：2006.11.1

  Stoichiometric-deficient lithiation of (2,6-diisopropylphenyl)(4-methylpyridin-2-yl)amine and reaction with [(cod)PdCl2] (cod = 1,5-cyclooctadiene) yield a dimeric Pd complex. X-ray structural analysis of this complex reveals a very short Pd-Pd distance (2.429 angstrom). Topological analysis of the electron density and the electron localization function from scalar relativistic density functional theory calculations clearly indicate a Pd(I)-Pd(I) sigma-bonding interaction, for which the corresponding occupied localized orbital can be identified.