bis(1-methylthyminato)cis-diammineplatinum(II) | 811868-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: bis(1-methylthyminato)cis-diammineplatinum(II)
• 英文别名: cis-[Pt(NH3)2(1-MeT)2]；cis-{bis(1-methylthyminato-N3)-diammineplatinum(II)}；bis(1-methylthyminato-N3)cis-diammineplatinum(II)；azane;1,5-dimethyl-4-oxopyrimidin-2-olate;platinum(2+)
• CAS: 811868-26-5
• 化学式: C₁₂H₂₀N₆O₄Pt
• 分子量: 507.409
• InChiKey: CVUKPZCAIVOSIL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.35
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 bis(1-methylthyminato)cis-diammineplatinum(II) 以 水 为溶剂， 以60%的产率得到bis[bis(μ-1-methylthyminato)cis-diammineplatinum(II)]manganese dichloride decahydrate
  参考文献：
  名称：

  The x-ray structure of a heteronuclear (Pt, Mn) complex of 1-methylthymine and its vibrational spectra

  摘要：

  DOI：

  10.1016/s0020-1693(00)88541-2
• 作为产物：
  描述：

  trans-[(NH3)2platinum(II)(1,5-dimethylcytosine-N3)2](NO3)2 在 KOH or NaOH 作用下， 以 水 为溶剂， 生成 bis(1-methylthyminato)cis-diammineplatinum(II)
  参考文献：
  名称：

  金属介导的胞嘧啶脱氨：实验和DFT计算。

  摘要：

  DOI：

  10.1002/anie.200460107

文献信息

• A mixed Pt2Tl complex of 1-methylthymine: structural evidence for the stereoactivity of the TlI electron lone pair and unexpected intracomplex nucleobase stacking
  作者：Oliver Renn、Bernhard Lippert、Ilpo Mutikainen

  DOI：10.1016/s0020-1693(00)85125-7

  日期：1993.6

  Abstract A trinuclear PtIITlIPtII complex with bridging 1-methylthyminato (1-MeT) nucleobases, cis-[(NH3)2Pt(1-MeT)2Tl(1- MeT)2Pt(NH3)2]NO3·7H2O, has been prepared and structurally characterized. It crystallizes in the space group C2/c with a=17.854(4), b=23.063(5), c=11.813(2) A, β=94.90(3)°, V=4846(2) A3, Z=4. The structure was refined on 3949 reflections to R=0.0448, Rw=0.0564. PtII binding is through

  摘要制备了具有桥接1-甲基胸腺嘧啶（1-MeT）核碱基顺式[[（NH3）2Pt（1-MeT）2Tl（1-MeT）2Pt（NH3）2] NO3·7H2O的三核PtIITlIPtII复合物。表征。它在空间群C2 / c中以a = 17.854（4），b = 23.063（5），c = 11.813（2）A，β= 94.90（3）°，V = 4846（2）A3，Z =结晶4，通过3949次反射将结构细化为R = 0.0448，Rw = 0.0564。PtII通过1-MeT环的N3位置结合，而TlI通过四个环外O4氧结合。PtTl间距（3.085（1）A）足够短，可以假定两种金属之间的键合。该化合物代表d8-s2-d8金属组件的一个罕见实例，在中央T11处显示指示立体活性电子孤对的结构特征。与以前研究过的所有相关PtIIMPtII复合物不同，首次观察到四个核碱基中的两个之间的分子内堆积。这个事实与TlI处的裂口似乎是相互关联的。
• Rare iminol tautomer of 1-methylthymine through metal coordination at N(3)
  作者：Bernhard Lippert

  DOI：10.1016/s0020-1693(00)90774-6

  日期：1981.1
• A platinum(II) dimer with bridging 1-methylthyminato ligands in head-to-head arrangement
  作者：Bernhard Lippert、Dietmar Neugebauer、Ulrich Schubert

  DOI：10.1016/s0020-1693(00)84122-5

  日期：1980.1
• A second modification of the head-tail dimer bis(μ-1-methylthyminato)-bis(cis-diammineplatinum(II) dinitrate and its differentiation from the corresponding head-head dimer
  作者：Dietmar Neugebauer、Bernhard Lippert

  DOI：10.1016/s0020-1693(00)85057-4

  日期：1982.1
• On Mixed-Valence Dinuclear PtII, PtIII Nucleobase Complexes Derived fromcis-Diamineplatinum(II): Effect of steric bulk of amine ligands on the Pt-oxidation state
  作者：Matthias Peilert、Andrea Erxleben、Bernhard Lippert

  DOI：10.1002/zaac.19966220212

  日期：1996.2

  AbstractA series of closely related dinuclear (head‐head) PtII complexes of general composition cis‐[a2PtL2Pta′2]2+ with a,a′ = NH3 or CH3NH2 and L = 1‐methyluracilate‐N3,O4 (1‐MeU) or 1‐methylthyminate‐N3,O4 (1‐MeT) has been prepared and the solution behavior toward CeIV oxidation studied. The X‐ray crystal structure of a representative example cis‐[(CH3NH2)2Pt(1‐MeU)2Pt(CH3NH2)2](ClO4)2 · 0.5 H2O (1b), has been determined: Monoclinic, space group P21/c, a = 11.907(7) Å, b = 19.087(14) Å, c = 12.525(7) Å, β = 90.49(4)°, Z = 4. Oxidation of these diplatinum(II) complexes ([Pt2.0]2) with CeIV in aqueous solution to the corresponding diplatinum(III) species ([Pt3.0]2) proceeds via tetranuclear [Pt2.25]4 or dinuclear [Pt2.5]2 mixed‐valence state compounds, depending on the nature of the a′ ligands: with a′ = NH3, blue green [Pt2.25]4 forms, whereas with a′ = CH3NH2, purple [Pt2.5]2 represents the intermediate. This difference is interpreted in terms of differences in bulk between NH3 and CH3NH2 ligands trans to the O(4) positions of the bridging nucleobases which influence the ability of dinuclear species to associate via the O(4)2 Pt a2′ faces.