Cu(phenyl isocyanine)2(bis(N,N'-phenyl)-6-aminofulvene-2-aldimine) C33H26CuN4, b | 1134517-49-9

• 英文名称: Cu(phenyl isocyanine)2(bis(N,N'-phenyl)-6-aminofulvene-2-aldimine) C33H26CuN4, b
• 英文别名: Cu(CNPh)2(Ph2-AFA)；Cu(phenyl isocyanine)2(bis(N,N'-phenyl)-6-aminofulvene-2-aldimine)
• CAS: 1134517-49-9
• 化学式: C₃₃H₂₆CuN₄
• 分子量: 542.142
• InChiKey: HOPRKUZASJFMPV-YDGOCWRKSA-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：

  N,N'-diphenyl-6-aminopentafulvene-1-aldimine 、 [ClCu(CNPh)2]2 在 lithium hexamethyldisilylamide 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到Cu(phenyl isocyanine)2(bis(N,N'-phenyl)-6-aminofulvene-2-aldimine) C33H26CuN4, b
  参考文献：
  名称：

  Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes

  摘要：

  We report here a synthetic route to bis(N,N'-aryl)-6-aminofulvene-2-aldimine (AFA) ligand systems, specifically Ph-2-AFAH and Dip(2)-AFAH. The synthesis and structural characterization of a series of Cu(I) complexes [(Ph-2-AFA)-Cu(CNPh)(2)] (2), [(Ph-2-AFA)Cu(CN'Pr)] (3), and [(Dip(2)-AFA)Cu(CN'Pr)] (4), from the reaction of the corresponding lithiated AFA systems with Cu-Cl derivatives are reported; notably in the case of [(Ph-2-AFA)Cu(CNPh)(2)] studies have revealed the existence of two structural isomers (2a and 2b), both of which can be isolated and structurally characterized. Density functional theory (DFT) calculations suggest that the two crystal forms are comparatively close in energy, and geometry optimization reveals a convergence of these two forms to a geometry that more closely resembles the solid-state structure of isomer 2b, having a CH center dot center dot center dot pi interaction. The reactions of the AFA compounds Ph-2-AFAH and Dip(2)-AFAH with ZnMe2 and AlMe3 have also been investigated, and the results of these reactions are described here.

  DOI：

  10.1021/ic101524b