Re2(CO)7(bis(diethylphosphino)ethane)(μ-SC6H4CHCH) | 406910-62-1

• 英文名称: Re2(CO)7(bis(diethylphosphino)ethane)(μ-SC6H4CHCH)
• CAS: 406910-62-1
• 化学式: C₂₅H₃₀O₇P₂Re₂S
• 分子量: 908.937
• InChiKey: MMKRCXUZHNJAMX-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：

  1,2-双(二乙基磷)乙烷 、 Re2(CO)7(μ-SC6H4CHCH) 以 甲苯 为溶剂， 生成 Re2(CO)7(bis(diethylphosphino)ethane)(μ-SC6H4CHCH)
  参考文献：
  名称：

  Re₂(CO)₁₀-Promoted S-Binding, C−S Bond Cleavage, and Hydrogenation of Benzothiophenes:  Organometallic Models for the Hydrodesulfurization of Thiophenes

  摘要：

  In hydrodesulfurization model reactions of dinuclear metal complexes with thiophenes, we observe that ultraviolet photolysis of Re-2(CO)(10) and benzothiophenes (BT*) in hexanes solution produces the ring-opened BT* complexes Re-2(CO)(7) (mu-BT*) (1a-d) (BT* = benzothiophene (BT) 1a, 2-methylbenzothiophene (2-MeBT) 1b, 3-methylbenzothiophene (3-MeBT) 1c, and 3,5-dimethylbenzothiophene (3,5-Me2BT) 1d). The eta(1)(S)-bound BT* complexes Re-2(CO)(9)(eta(1)(S)-BT*) (2a-d), prepared from Re-2(CO)(9)(THF) and BT*, are readily converted into 1a-d in good yields (40-60%) during UV photolysis in hexanes solution, which suggests that the eta(1)(S)-bound complexes 2a-d are precursors to 1a-d in the reactions of Re-2(CO)(10) with BT*. Irradiation of Re-2(CO)(10) and 3,5-Me2BT with UV light in decane solution under an atmosphere of H-2 produces complex 1d and the partially hydrogenated BT* complex Re-2(CO())7(mu-3,5-Me2BT-H)(mu-H) (3d). Reactions of 1a with phosphines yield further ring-opened BT-Re complexes of the types Re-2(CO)(7)(PMe3)(3)-(mu-BT) (4) and Re-2(CO)(7)(PR3)(2) (mu-BT) (R = Me (5), Pr-i (6), Cy (7), and bis(diethylphosphino)ethane (8)). Structures of 1d, 2c, 3d, and 6, which demonstrate various bonding modes of benzothiophene and its C-S cleaved derivatives to two metal centers, were determined by X-ray crystallographic studies.

  DOI：

  10.1021/ja011725l