(methyl(oxo)tris(phenylthio)rhenio)(phenyl)sulfane | 131011-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (methyl(oxo)tris(phenylthio)rhenio)(phenyl)sulfane
• CAS: 131011-45-5
• 化学式: C₂₅H₂₃OReS₄
• 分子量: 653.928
• InChiKey: KYWHLZIZFIPAQA-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.43
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  甲基三氧化铼(VII) 、 苯硫酚 以 甲苯 为溶剂， 以93%的产率得到(methyl(oxo)tris(phenylthio)rhenio)(phenyl)sulfane
  参考文献：
  名称：

  主族元素和过渡金属之间的多重键。77.甲基三氧or（VII）与儿茶酚和芳香族硫醇的缩合反应

  摘要：

  The title compound methyltrioxorhenium (VII) reacts with catechols to yield complexes of the formula CH3Re(O)2(1,2-O2C6R4) (<2>) that are fully characterized as pyridine adducts 3. Conducting these reactions in the presence of nucleophiles, e.g., halides, gives the hexacoordinate anions [CH3Re(O)2(1,2-O2C6R4)(X)]- of compounds 4a-c (X = Cl, Br, I) in high yields. Based upon spectroscopic data, the oxo ligands occupy cis positions and the halide ligand occupies trans positions with respect to the methyl group of these novel five-membered d0 rhenacycles. The rhenium (V) species "CH3ReO2", prepared in situ from 1 by reduction with (polymer bound) triphenylphosphane, reacts with phenanthrenequinone in the presence of pyridine to give the neutral hexacoordinate complex CH3Re(O)2(9,10-O2C14H8)(NC5H5) (5), with the quinone ligand being present in the reduced form as catecholate while the rhenium is in the oxidation state VII. Reaction of 1 with thiophenol gives initially the rhenium (VII) complex CH3ReO(SC6H5)4 (6), which upon heating undergoes intramolecular elimination of diphenyl disulfide, C6H5SSC6H5, to give the dinuclear rhenium(V) complex [CH3ReO(mu-SC6H5)(SC6H5)2 (7; X-ray diffraction study). Condensation of 1 with benzene-1,2-dithiol gives the rhenium(VII) complex CH3ReO(1,2-S2C6H4)2 (8).

  DOI：

  10.1021/om00047a066