[Pt(COMe)₂{tris(2-pyridyl)methyl methyl ether}] | 1427443-46-6

• 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: [Pt(COMe)₂{tris(2-pyridyl)methyl methyl ether}]
• 英文别名: ethanone;2-[methoxy(dipyridin-2-yl)methyl]pyridine;platinum(2+)
• CAS: 1427443-46-6
• 化学式: C₂₁H₂₁N₃O₃Pt
• 分子量: 558.496
• InChiKey: FPZOFZIOKYSLFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-二吡啶基酮 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.67h， 生成 [Pt(COMe)₂{tris(2-pyridyl)methyl methyl ether}]
  参考文献：
  名称：

  Diacetylplatinum(II) Complexes with κ²-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution

  摘要：

  Reactions of the bis(benzylamine)platinum(II) complex [Pt(COMe)(2)(NH2Bn)(2)] (2; Bn = benzyl) with (2-py)(3)COR (2-py = 2-pyridyl), (2-py)(2)PhCOR, and (2-py)(2)(m-Tol)COR (m-Tol = 3-methylphenyl) afforded the neutral diacetylplatinum(II) complexes [Pt(COMe)(2){(2-py)(3)COR}] (R = H (3a), Me (3b), Et (3c), Bn (3d)), [Pt(COMe)(2){(2-py)(2)PhCOR}] (R = H (4a), Me (4b)), and [Pt(COMe)(2){(2-py)(2)(m-Tol)COR}] (R = H (5a) Me (5b)), respectively, having, due to a kappa(2) coordination of the ligands, a 2-pyridyl (3), a phenyl (4), or a m-tolyl (5) ring as the pendant group. The identities of all complexes were unambiguously proved by high-resolution mass spectrometric investigations and by NMR (H-1, C-13, Pt-195) and IR spectroscopy as well as by single-crystal X-ray diffraction analyses (3a-d). In methanol solution, complexes 3b-d and 5b show a dynamic behavior. The thermodynamic parameters of these dynamics have been determined by variable-temperature H-1 NMR measurements (Eyring plots). Furthermore, extensive DFT calculations will be presented, which indicate that the dynamics are caused by the interplay of hindered and respectively unhindered rotations of the substituent R and/or the pendant group.

  DOI：

  10.1021/om400091h