PtMe3(pyrimidine-2-thione-κS(1-))(2,2'-bipyridine) | 913544-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: PtMe3(pyrimidine-2-thione-κS(1-))(2,2'-bipyridine)
• 英文别名: PtMe3(pymt-κS(1-))(bpy)
• CAS: 913544-01-1
• 化学式: C₁₇H₂₀N₄PtS
• 分子量: 507.519
• InChiKey: RKKUTAQHHRWCIQ-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：

  silver(I) acetate 、 2-巯基嘧啶 、 [PtMe₃(2,2'-bipyridine)I] 以 丙酮 为溶剂， 以61%的产率得到PtMe3(pyrimidine-2-thione-κS(1-))(2,2'-bipyridine)
  参考文献：
  名称：

  Synthesis and characterization of platinum(IV) complexes with N,S and S,S heterocyclic ligands

  摘要：

  The reactions of [PtMe3(OAc)(bpy)] (4) with the NS and S,S containing heterocycles, pyrimidine-2-thione (pymtH), pyridine-2-thi-one (pytH), thiazoline-2-thione (tztH) and thiophene-2-thiol (tptH), resulted in the formation of the monomeric complexes [PtMe3(D SKS)(bpy)] (mu-D s = pymt, 5; pyt, 6; tzt, 7; tpt, 8), where the heterocyclic ligand is coordinated via the exocyclic sulfur atom. In contrast, in the reactions of [PtMe3(OAc)(Me2CO)(x)](3, x = 1 or 2) with pymtH, pytH, tztH and tptH dimeric complexes [{PtMe3(mu-D S)}(2)] (mu-D s = pymt, 9; pyt, 10; tzt, 11) and the tetrameric complex [{PtMe3(mu(3)-tpt-kappa S)}(4)] (12), respectively, were formed. The complexes were characterized by microanalyses, H-1 and C-13 NMR spectroscopy and negative ESI-MS (12) measurements. Single-crystal X-ray diffraction analysis of [PtMe3(pymt-kappa S)(bpy)] (5) exhibited a conformation where the pymt ligand lies nearly perpendicular to the complex plane above the bpy ligand that was also confirmed by quantum chemical calculations on the DFT level of theory. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.06.007