Cu(II)(1,3-bis(2-pyridylimino)isoindolinate)(O-benzoylsalicylic acid) | 300662-53-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: Cu(II)(1,3-bis(2-pyridylimino)isoindolinate)(O-benzoylsalicylic acid)
• CAS: 300662-53-7
• 化学式: C₃₂H₂₁CuN₅O₄
• 分子量: 603.096
• InChiKey: ZZEBFCATHSOLEV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  (Cu(II)(flavonolate)(1,3-bis(2-pyridylimino)isoindolinate)) 在 O₂ 作用下， 以 乙腈 为溶剂， 以65%的产率得到Cu(II)(1,3-bis(2-pyridylimino)isoindolinate)(O-benzoylsalicylic acid)
  参考文献：
  名称：

  Preparation and Oxygenation of (Flavonolato)copper Isoindoline Complexes with Relevance to Quercetin Dioxygenase

  摘要：

  Mesitylcopper reacts with flavonol (flaH) in the presence of 1,3-bis(2-pyridylimino)isoindoline (indH) to yield the diamagnetic complex Cu-I(fla)(indH), which on reaction with molecular oxygen undergoes oxidative splitting of the C2-C3 bond of the pyranone ring of the flavonolate ligand to give Cu-I(indH)(O-bs) (O-bs = O-benzoylsalicylate) (orthorhombic, P (1) over bar, a = 8.048(7) Angstrom, b = 8.969(9) Angstrom, c = 19.240(2) Angstrom, alpha = 85.69 degrees, beta 80.24(7)degrees, gamma = 77.87(7)degrees, V = 1337(2) Angstrom(3), Z = 2) and carbon monoxide. The reaction of [Cu-I(CH3CN)(4)]ClO4, flaH, and indH with dioxygen at room temperature affords the paramagnetic complex [Cu-II(Ra)(indH)]ClO4 (mu = 2.10 mu(B)), and after elimination of HClO4, Cu-II(fla)(ind) (orthorhombic, P-bca. a = 8.888(2) Angstrom, b = 19.169(7) Angstrom, c = 33.614(10) Angstrom, alpha = beta = gamma = 90 degrees, V = 5727(3) Angstrom(3), Z = 8) With mu = 1.86 mu(B) is formed. The latter undergoes cleavage of the pyranone ring on oxygenation at 80 degrees C to give Cu-II(ind)(O-bs) (mu = 1.87 mu(B), nu(CO) = 1742 cm(-1), and nu(CO2) = 1581, 1387 cm(-1)) and carbon monoxide. Cu-II(fla)(ind) and [Cu-II(fla)(indH)]ClO4 serve as good catalysts for the oxygenation of flavonol to O-benzoylsalicylic acid.

  DOI：

  10.1021/ic990521r