Pt(5-(6-methylpyridin-2-yl)-3-trifluoromethyl-1,2,4-triazole)2 | 1196450-03-9

• 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(5-(6-methylpyridin-2-yl)-3-trifluoromethyl-1,2,4-triazole)2
• 英文别名: 2-Methyl-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+)
• CAS: 1196450-03-9
• 化学式: C₁₈H₁₂F₆N₈Pt
• 分子量: 649.417
• InChiKey: NQSVLAUZRWGDKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  potassium tetrachloroplatinate(II) 、 3-(6'-methyl-2'-pyridyl)-5-trifluoromethyl-1,2,4-triazole 在 Na₂CO₃ 作用下， 以 四氢呋喃 为溶剂， 以43%的产率得到Pt(5-(6-methylpyridin-2-yl)-3-trifluoromethyl-1,2,4-triazole)2
  参考文献：
  名称：

  Platinum(II) complexes with spatially encumbered chelates; syntheses, structure and photophysics

  摘要：

  Treatment of the spatially congested 5-(6-methylpyridin-2-yl)-3-trifluoromethyl-1,2,4-triazole (fmptzH) chelate with K2PtCl4 in basic media gave a pale-yellow complex [Pt(fmptz)(2)] (1), for which the single crystal X-ray diffraction study showed a highly distorted square-planar coordination geometry with one N-Pt-N vector significantly deviated from linearity. This complex undergoes slow equilibration in refluxing THF to afford a dinuclear complex [Pt(fmptz)(mu-fmptz)](2) (2), showing reversible transformation of one fmptz chelate to the distinctive bridging mode. Synthesis of the less spatially congested, heteroleptic complexes [Pt(fppz)(fmptz)] (3) and [Pt(iqbpz)(fmptz)] (4) were successfully achieved by combination of [Pt(fppzH)Cl-2] and [Pt(iqbpzH)Cl-2] with one equiv. of fmptzH ligand under similar condition, fppzH = 5-(2-pyridyl)-3-trifluoromethyl-pyrazole and iqbpzH = 5-(1-isoquinolyl)-3-tert-butyl-pyrazole. Only the derivative 4 was found to be weakly emissive in both fluid and solid states at room temperature. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.06.041