[Zn(3-hydroxyflavonol(-H))(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)][ClO4] | 1202583-40-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: [Zn(3-hydroxyflavonol(-H))(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)][ClO4]
• 英文别名: [Zn(3Hfl(-H))(6-Ph2TPA)][ClO4]
• CAS: 1202583-40-1
• 化学式: C₁₅H₉O₃*C₃₀H₂₆N₄*ClO₄*Zn
• 分子量: 844.639
• InChiKey: SCTLKLMJUFTTPI-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [Zn(3-hydroxyflavonol(-H))(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)][ClO4] 在 氧气 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Pb（II）黄酮酸酯络合物的合成，表征和光诱导的CO释放反应性：与第12组类似物的比较

  摘要：

  [（6-Ph 2 TPA）Pb（3-Hfl）] ClO 4（1 ; 6-Ph 2 TPA =  N，N -bis（（6-phenyl-2）吡啶基）甲基） - ñ - （（2-吡啶基）甲基）胺; 3- HFL = 3-羟基黄酮的阴离子）报道并与第12个族类似物（[（6--PH相比2 TPA）M（3-HFL ）] ClO 4（M = Hg（II）（2），Cd（II）（3），Zn（II）（4））。在涉及配合的黄酮酸酯配体的结构和光谱特征方面，Pb（II）配合物在这组配合物中表现出独特的特征。与第12组化合物相似，在含O 2的环境中在300 nm处照射1会导致CO的定量释放并通过光致诱导形成Pb（II）O-苯甲酰水杨酸酯（O -bs，深部）络合物双加氧酶型反应。Pb（II）黄酮酸酯络合物（Φ= 0.21（6））与与结构相关的第12组金属络合物（6-Ph 2 TPA）M（3-Hfl）反应的量子产率比较ClO

  DOI：

  10.1016/j.ica.2013.07.029

文献信息

• Photochemically-induced dioxygenase-type CO-release reactivity of group 12 metal flavonolate complexes
  作者：Katarzyna Grubel、Brynna J. Laughlin、Thora R. Maltais、Rhett C. Smith、Atta M. Arif、Lisa M. Berreau

  DOI：10.1039/c1cc13961d

  日期：——

  Exposure of 3-hydroxyflavonolate complexes of the group 12 metals to UV light under aerobic conditions results in oxidative carbon–carbon bond cleavage and CO release. This reactivity is novel in that it occurs under mild reaction conditions and suggests that light-induced CO-release reactivity involving metal flavonolate species may be possible in biological systems.

  在有氧条件下，将12种金属的3-羟基黄酮醇复合物暴露于紫外线下，会导致碳-碳键氧化断裂并释放一氧化碳。这种反应性是新颖的，因为它发生在温和的反应条件下，并表明在生物系统中可能存在光诱导的涉及金属黄酮醇物种的一氧化碳释放反应。
• Influence of supporting ligand microenvironment on the aqueous stability and visible light-induced CO-release reactivity of zinc flavonolato species
  作者：Stacey N. Anderson、Mark Noble、Katarzyna Grubel、Brooks Marshall、Atta M. Arif、Lisa M. Berreau

  DOI：10.1080/00958972.2014.977272

  日期：2014.12.17

  The visible light-induced CO-release reactivity of the zinc flavonolato complex [(6-Ph(2)TPA)Zn(3-Hfl)]ClO4 (1) has been investigated in 1:1 H2O:DMSO. Additionally, the effect of ligand secondary microenvironment on the aqueous stability and visible light-induced CO-release reactivity of zinc flavonolato species has been evaluated through the preparation, characterization, and examination of the photochemistry of compounds supported by chelate ligands with differing secondary appendages, [(TPA)Zn(3-Hfl)]ClO4 (3; TPA=tris-2-(pyridylmethyl)amine) and [(bnpapa)Zn(3-Hfl)]ClO4 (4; bnpapa=N,N-bis((6-neopentylamino-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)). Compound 3 undergoes reaction in 1:1 H2O:DMSO resulting in the release of the free neutral flavonol. Irradiation of acetonitrile solutions of 3 and 4 at 419nm under aerobic conditions results in quantitative, photoinduced CO-release. However, the reaction quantum yields under these conditions are lower than that exhibited by 1, with 4 exhibiting an especially low quantum yield. Overall, the results of this study indicate that positioning a zinc flavonolato moiety within a hydrophobic microenvironment is an important design strategy toward further developing such compounds as CO-release agents for use in biological systems.