aluminum;carbanide;2-phenyl-1H-pyrrolo[2,3-b]pyridine;2-phenylpyrrolo[2,3-b]pyridin-1-ide | 214400-10-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: aluminum;carbanide;2-phenyl-1H-pyrrolo[2,3-b]pyridine;2-phenylpyrrolo[2,3-b]pyridin-1-ide
• CAS: 214400-10-9
• 化学式: C₄₀H₃₁AlN₆
• 分子量: 622.708
• InChiKey: XXSTWYVXZIBLIT-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：

  三甲基铝 、 2-苯基-1H-吡咯并[2,3-b]吡啶 以 甲苯 为溶剂， 以66%的产率得到aluminum;carbanide;2-phenyl-1H-pyrrolo[2,3-b]pyridine;2-phenylpyrrolo[2,3-b]pyridin-1-ide
  参考文献：
  名称：

  Highly Fluxional Blue Luminescent Aluminum Complexes:  Al(CH₃)(7-azain-2-Ph)₂(7-azainH-2-Ph), Al₃(μ₃-O)(CH₃)₃(7-azain-2-Ph)₄, and Al₃(μ₃-O)(CH₃)₃(7-azain-2-CH₃)₄ (7-azain = 7-Azaindole Anion)

  摘要：

  The new aluminum complexes Al(CH3)(7-azain-2-Ph)(2)(7-azainH-2-Ph) (1), Al-3(mu(3)-O)(CH3)(3)(7-azain-2-Ph)(4) (2), and Al-3(mu(3)-O)(CH3)(3)(7-azain-2-CH3)(4) (3), where 7-azain = 7-azaindole anion, have been synthesized and characterized structurally. The three aluminum atoms in compounds 2 and 3 are bridged by an oxo ligand, Compounds 2 and 3 have an asymmetric structure in the solid state that results in a distinct chemical environment for each aluminum atom and each 7-azain-2-R ligand in the compounds. All compounds emit a blue color, when irradiated by UV light. The blue emission is attributed to the coordinated 7-azain-2-CH3 and 7-azain-2-Ph ligands. Variable-temperature 1D and low-temperature 2D EXSY H-1 NMR experiments established that compounds 2 and 3 are highly fluxional in solution, attributable to an unusual intramolecular migration of the coordinated 7-azain-2-R ligands.

  DOI：

  10.1021/om980435j