CoI(S2C2Et2)2 | 884337-95-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: CoI(S2C2Et2)2
• CAS: 884337-95-5
• 化学式: C₁₂H₂₀CoIS₄
• 分子量: 478.452
• InChiKey: XUYUGRNPOJZOCG-JRCUNKIOSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  tetraethylammonium tetrachlorocobaltate(II) 、 3,4-bis-triisopropylsilanylsulfanyl-hex-3-ene 在 I₂ 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 以35%的产率得到CoI(S2C2Et2)2
  参考文献：
  名称：

  Synthesis of metal dithiolene complexes by Si–S bond cleavage of a bis(silanylsulfanyl)alkene

  摘要：

  A new method for the synthesis of metal dithiolenes with alkyl-substituted chelate rings has been investigated. The utility of the protected ene-1,2-dithiolate 3,4-bis-triisopropylsilanylsulfanyl-hex-3-ene as a precursor in reactions with metal halide and oxylialide complexes was examined. Reaction conditions involve a 2:1 or 3:1 mol ratio of reactants in acetonitrile/THF or toluene at 50-80 degrees C for 24-36 h. Complex formation was observed as a result of Si-S bond cleavage by bound or free halide and oxo ligands. Members of four major structural families of dithiolene complexes were prepared in ca. 25-70% yields, including planar [Ni(S2C2Et2)(4)](2-), square pyramidal [MI(S2C2Et2)(2)] (M =Co, Fe), [Fe(py)(S2C2Et2)(2)](1-), and [ReO(S2C2Et2)(2)](1-), centrosymmetric [M-2(S2C2Et2)](2-) (M = CO, Mn), [M(S2C2Et2)(3)](1-) (M = V, Nb), and trigonal prismatic [M(S2C2Et2)(3)] (M = MO- W)- Seven X-ray structure proofs are provided. It is Concluded that the method is feasible and potentially extendable to other ring substituents. whose primary effects are on solubility and modulation of redox potentials. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.067