[PtBr(C6H3(CH2SPh)2-2,6)] | 1065473-23-5

• 英文名称: [PtBr(C6H3(CH2SPh)2-2,6)]
• CAS: 1065473-23-5；1064656-26-3
• 化学式: C₂₀H₁₇BrPtS₂
• 分子量: 596.471
• InChiKey: KOUIRGVZSSAUJQ-UHFFFAOYSA-M

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：

  [Pt₂(4-MeC₆H₄)₄(μ-SEt₂)₂] 、 C6H3(CH2SPh)2-2,6-Br-1 以 苯 为溶剂， 以76%的产率得到[PtBr(C6H3(CH2SPh)2-2,6)]
  参考文献：
  名称：

  X-Ray and NMR Study of the Structural Features of SCS-Pincer Metal Complexes of the Group 10 Triad

  摘要：

  SCS-pincer metal complexes [MX(SCS)] (SCS = [2,6-(RSCH2)(2)C6H3](-); R = Ph: (SCS)-S-Ph; R = Me: (SCS)-S-Me; M = Pd, Pt, Ni) have been synthesized via mild and tolerant oxidative addition procedures. The complexes have been characterized by H-1 and C-13 NMR spectroscopy and X-ray crystal structure determination. Interestingly, the crystal structures of [NiBr((SCS)-S-Me)] 4, [PdBr((SCS)-S-Me)] 5, [PtBr((SCS)-S-Me)] 6, and [PtBr((SCS)-S-Ph)] 8 each have a unit cell with a unique set of independent [MBr((SCS)-S-R)] molecules; each of these structures has a different conformation of the five-membered ortho-chelate ring (including the configuration of the coordinated S-center) in the solid state. The temperature-dependent 1H NMR resonance patterns of these complexes in solution were related to structural features encountered in the solid state and allowed us to assign all dynamic processes (rac/meso isomerizations) that occurred in solution.

  DOI：

  10.1021/om800324w