cis-[(PMePh2)2Pt(9-methyladenine)2](2+) | 637002-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: cis-[(PMePh2)2Pt(9-methyladenine)2](2+)
• 英文别名: cis-[(PMePh2)2Pt(9-methyladenine-N(1))(9-methyladenine-N(7))](2+)
• CAS: 637002-23-4
• 化学式: C₃₈H₄₀N₁₀P₂Pt
• 分子量: 893.83
• InChiKey: SUOOZIDSIQAPMT-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：

  cis-dichlorobis(methyldiphenylphosphine)platinum(II) 以 氘代二甲亚砜 、 乙醇 、 氯仿 为溶剂， 生成 cis-[(PMePh2)2Pt(9-methyladenine)2](2+)
  参考文献：
  名称：

  Complexes of Platinum(II) Containing Neutral and Deprotonated 9-Methyladenine. Synthesis, X-ray Structures, and NMR Studies on the Cyclic Trimer cis-[L₂Pt{9-MeAd(−H)}]₃(NO₃)₃ and the Dinuclear cis-[L₂Pt(ONO₂){9-MeAd(−H)}PtL₂](NO₃)₂ (L = PMePh₂)

  摘要：

  The dinuclear hydroxo complex cis-[L2Pt(mu-OH)](2)(NO3)(2) (L = PMePh2, 1), in CH2Cl2, CH3CN, or DMF solution, deprotonates the NH2 group of 9-methyladenine (9-MeAd) to give the complex cis-[L2Pt{9-MeAd(-H)}](3)(NO3)(3), 2, which was isolated in good yield. The X-ray structure shows that the nucleobase binds symmetrically the metal centers through the N(1),N(6) atoms forming a cyclic trimer with Pt...Pt distances in the range 5.202(1)-5.382(1) Angstrom. Dissolution of 2 in DMSO or DMF determines the partial (or total) dissociation of the cyclic structure to form several fragments. A multinuclear NMR analysis of the resulting mixture supports the presence of the mononuclear species cis-[L2Pt{9-MeAd(-H)}](+), 3, in which the deprotonated nucleobase chelates the metal center with the N(6),N(7) atoms. Addition of a stoichiometric amount of the nitrato complex cis-[L2Pt(ONO2)(2)] (L = PMePh2, 4) to a DMSO or DMF solution of 2 affords quantitatively the diplatinated compound cis-[L2Pt(NO2){9-MeAd(-H)}-PtL2](NO3)(2), 5. The single-crystal X-ray analysis shows that the adenine behaves as a tridentate ligand bridging two cis-L2Pt units at the N(1) and N(6),N(7) sites, respectively [Pt(l)-N(l) = 2.109(5) Angstrom, Pt(2)-N(6) = 2.095(7) Angstrom, Pt(2)-N(7) = 2.126(7) Angstrom]. The N(1)-bonded metal center completes the coordination sphere through an oxygen atom of a nitrate group, and its coordination plane is arranged orthogonally with respect the second one. The Pt-O distance [2.109(5) Angstrom] is similar to those found in the nitrato complex 4 [2.110 Angstrom, average]. The related complex cis-[{L2Pt(ONO2)}(2)(9-MeAd)](NO3)(2), 6, containing the neutral adenine platinated at the N(1),N(7) atoms, was isolated and its stability in solution investigated by NMR spectroscopy, In DMSO, 6 undergoes decomposition forming a mixture of the species 4, 5, and the adenine mono- and bis-adducts cis-[L2Pt(9-MeAd)(DMSO)](2+), 7, and cis-[L2Pt(9-MeAd)(2)](2+), 8, respectively. This last complex, quantitatively formed upon addition of 9-MeAd (Pt/adenine 1:2) to the mixture, was also isolated and characterized.

  DOI：

  10.1021/ic034406z