[Ta(η5-pentamethylcyclopentadienyl)(triflate)2(2,2′-thiodiethanolate-κ3O,S,O)] | 1424015-37-1

• 英文名称: [Ta(η5-pentamethylcyclopentadienyl)(triflate)2(2,2′-thiodiethanolate-κ3O,S,O)]
• 英文别名: [Ta(η⁵-pentamethylcyclopentadienyl)(triflate)₂(2,2′-thiodiethanolate-κ³O,S,O)]；[TaCp*(TfO)₂(tdgol-κ³O,S,O)]
• CAS: 1424015-37-1
• 化学式: C₁₆H₂₃F₆O₈S₃Ta
• 分子量: 734.49
• InChiKey: AHFZIDSPCVMPAF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  三氟甲磺酸 、 [Ta(η5-pentamethylcyclopentadienyl)(methyl)2(2,2′-thiodiethanolate-κ3O,S,O)] 以 甲苯 为溶剂， 反应 2.0h， 以88%的产率得到[Ta(η5-pentamethylcyclopentadienyl)(triflate)2(2,2′-thiodiethanolate-κ3O,S,O)]
  参考文献：
  名称：

  Insertion Reactions in Ta–H and Ta–Me Bonds in Complexes Containing Tridentate κ³O,S,O-Type Ligands

  摘要：

  A series of new tantalum complexes containing the kappa O-3,S,O-type alkoxide ligand from 2,2'-thiodiethanol (tdgolH(2)) have been synthesized and characterized. The complexes [TaCp*Cl-2{[O(CH2)(2)](2)S-kappa O-3,S,O}] (1) and [TaCp*Me-2{[O(CH2)(2)](2)S-kappa O-3,S,O}] (2) were prepared by reaction of 2,2'-thiodiethanol with [TaCp*X-4] (X = Cl, Me). The tantalum dihydride complex [TaCp*H-2{[O(CH2)(2)](2)S-kappa O-3,S,O}] (3) and its analogue containing the 2,2'-thiobis(6-tert-octylphenolate) ligand (4) were synthesized by reaction of the respective dichlorides with 2 equiv of NaBHEt3. In addition, [TaCp*Me(TfO){[O(CH2)(2)](2)S-kappa O-3,S,O}] (5) and [TaCp*(TfO)(2){[O(CH2)(2)](2)S-kappa O-3,S,O}] (6; TfO = F3COSO2-) were synthesized by reaction of 2 with 1 and 2 equiv of triflic acid, respectively. The reactivity of this family of complexes with nucleophiles was also studied and, as a result, three azatantalacyclopropane complexes (7-9) and the carbene [TaCp*{C(Me)N(H)xylyl-kappa C-1}(OH){[O(CH2)(2)](2)S-kappa O-3,S,O}] (10) were characterized. The single-crystal structures of 1 and 6 were determined by X-ray diffraction methods.

  DOI：

  10.1021/om3011728