trans-rhenium(III)(Br)2(4,6-dimethylpyrimidine-2-thiolate)(triphenylphosphine)2*acetone | 124354-44-5

• 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: trans-rhenium(III)(Br)2(4,6-dimethylpyrimidine-2-thiolate)(triphenylphosphine)2*acetone
• CAS: 124354-44-5
• 化学式: C₃H₆O*C₄₂H₃₇Br₂N₂P₂ReS
• 分子量: 1067.88
• InChiKey: OCYGPWZJVOGTCT-UHFFFAOYSA-K

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：
  None

反应信息

• 作为反应物：
  描述：

  trans-rhenium(III)(Br)2(4,6-dimethylpyrimidine-2-thiolate)(triphenylphosphine)2*acetone 以 氘代氯仿 为溶剂， 生成 trans-rhenium(V)-oxo-Br2(4,6-dimethylpyrimidine-2-thiolate)(triphenylphosphine)
  参考文献：
  名称：

  Synthesis, structural, and spectroscopic study of rhenium(III) and rhenium(V) 4,6-dimethylpyrimidine-2-thiolate/triphenylphosphine mixed complexes: Crystal and molecular structure of ?ReCl2(pymS)(PPh3)2?�C3H6O and ?ReOCl2(pymS)(PPh3)?

  摘要：

  DOI：

  10.1007/bf01185388
• 作为产物：
  描述：

  4,6-二甲基-2-巯基嘧啶 、 (PPh₃)₂ReOBr₂(OEt) 以 丙酮 为溶剂， 以56%的产率得到trans-rhenium(III)(Br)2(4,6-dimethylpyrimidine-2-thiolate)(triphenylphosphine)2*acetone
  参考文献：
  名称：

  Redox interconversion of [ReV O]3+ ⇌ [ReIII]3+ centers in octahedral 4,6-dimethyl-pyrimidine-2-thiolate/triphenylphosphine rhenium (V) and rhenium (III) mixed complexes

  摘要：

  Reaction of trans-[ReOX(2)(EtO) (PPh(3))(2)] (X = Cl, Br, I) with 4,6-dimethylpyrimidine-2-(1H)-thione (pymSH) in 1:1 molar ratio in refluxing acetone, rapidly formed [ReOX(2)(pymS)(PPh(3))] (X = Cl, Br, I) compounds and PPh, in good yields. Upon increasing the refluxing time (5-6 h), the above products react in a 1:2 molar ratio producing the paramagnetic trans-[ReX(2)(pymS) (PPh(3))(2)] (X = Cl, Br) species and triphenylphosphine oxide as a result of oxygen transfer from the [ReO](3+) core to the PPh(3). The trans-[ReX(2)(pymS) (PPh(3))(2)] (X = Cl, Br) species, in organic solvents at room temperature and in the presence of atmospheric oxygen, are easily oxidized back to [ReOX(2)(pymS)(PPh(3))] with the concomitant formation of O = PPh(3). These oxidation reactions most likely proceed through the loss of a PPh, ligand on the reducing rhenium(III) center, which makes a coordination site available for the oxidative addition of dioxygen which produces a highly reactive rhenium-dioxygen intermediate ([ReX(2)(pymS)(PPh(3)) (O-2)]). The time course of the aerial oxygenation reactions at room temperature was inferred from the rate [K-m = (1.30 +/- 0.05) x 10(-2) h(-1)] of disappearance of the paramagnetic trans-[ReX(2)(pymS) (PPh(3))(2)] (X = Cl, Br) species, monitored by VIS-NIR and H-1 NMR spectroscopy. Spectroscopic (UV-VIS-NIR, H-1 and P-31 NMR), magnetic and electrochemical properties of the complexes are discussed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00505-0