[TaCp*Me2(κ3-2,2'-thiobis(6-tert-octylphenolato)] | 1058140-57-0

• 英文名称: [TaCp*Me2(κ3-2,2'-thiobis(6-tert-octylphenolato)]
• CAS: 1058140-57-0
• 化学式: C₄₀H₆₁O₂STa
• 分子量: 786.937
• InChiKey: WUCCVVJZJYLTQE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸 、 [TaCp*Me2(κ3-2,2'-thiobis(6-tert-octylphenolato)] 以 甲苯 为溶剂， 以69%的产率得到[Ta(C5Me5)(Me)(κ3-2,2'-thiobis(6-tert-octylphenolato)(OTf)]
  参考文献：
  名称：

  Preparation, Characterization, and Reactivity of Tantalum Complexes Containing Tridentate Bis(phenolato) [OSO]-Type Ligands

  摘要：

  A series of new tantalum-tbcp [tbcp = 2,2'-thiobis(4,6-dichlorophenolato)] and tantalum-tbop [tbop = 2,2'-thiobis(6-tert-octylphenolato)] complexes [TaCp*Cl-2(k(3)-tbop)] (1), [TaCp*Cl-2(k(3)-tbcp)] (2), [TaCp*Me-2(k(3)- tbop)] (3), [TaCp*Me-2(k(3)-tbcp)] (4), [TaCp*Me(k(3)-tbop)(OTf)] (OTf = triflate) (5), [TaCp*Me(k(3)- tbcp)(OTf)] (6), [TaCp*(k(3)-tbop)(OTf)(2)] (7), and [TaCp*(k(3)-tbcp)(OTf)2] (8) have been synthesized. Insertion processes into the methyl groups of complex 3 were not observed upon reaction with CO or isocyanides. In contrast, complex 4 reacted slowly with 1 equiv of xylyl isocyanide (xylyl = 2,6-dimethylphenyl) or tert-butyl isocyanide to yield complexes [TaCp*(k(2) -Me(2)CNxylyl)(k(3)-tbcp)] (9) and [TaCp*Me(k(2)-(MeCNBU)-B-t)(k(3)-tbcp)] (10), respectively. All products were characterized by NMR spectroscopy and elemental analysis. The single-crystal structures of 2, 3, 6, and 9 were also determined.

  DOI：

  10.1021/om8004838
• 作为产物：
  描述：

  (pentamethylcyclopentadienyl)tetramethyltantalum 、 2,2'-硫代双(4-特辛基苯酚) 以 甲苯 为溶剂， 以89%的产率得到[TaCp*Me2(κ3-2,2'-thiobis(6-tert-octylphenolato)]
  参考文献：
  名称：

  Preparation, Characterization, and Reactivity of Tantalum Complexes Containing Tridentate Bis(phenolato) [OSO]-Type Ligands

  摘要：

  A series of new tantalum-tbcp [tbcp = 2,2'-thiobis(4,6-dichlorophenolato)] and tantalum-tbop [tbop = 2,2'-thiobis(6-tert-octylphenolato)] complexes [TaCp*Cl-2(k(3)-tbop)] (1), [TaCp*Cl-2(k(3)-tbcp)] (2), [TaCp*Me-2(k(3)- tbop)] (3), [TaCp*Me-2(k(3)-tbcp)] (4), [TaCp*Me(k(3)-tbop)(OTf)] (OTf = triflate) (5), [TaCp*Me(k(3)- tbcp)(OTf)] (6), [TaCp*(k(3)-tbop)(OTf)(2)] (7), and [TaCp*(k(3)-tbcp)(OTf)2] (8) have been synthesized. Insertion processes into the methyl groups of complex 3 were not observed upon reaction with CO or isocyanides. In contrast, complex 4 reacted slowly with 1 equiv of xylyl isocyanide (xylyl = 2,6-dimethylphenyl) or tert-butyl isocyanide to yield complexes [TaCp*(k(2) -Me(2)CNxylyl)(k(3)-tbcp)] (9) and [TaCp*Me(k(2)-(MeCNBU)-B-t)(k(3)-tbcp)] (10), respectively. All products were characterized by NMR spectroscopy and elemental analysis. The single-crystal structures of 2, 3, 6, and 9 were also determined.

  DOI：

  10.1021/om8004838