[Ta(C5Me5)Me2(((2,2'-diaminophenyl sulfide(-2H))-κ3-N,S,N)] | 1271884-49-1

• 英文名称: [Ta(C5Me5)Me2(((2,2'-diaminophenyl sulfide(-2H))-κ3-N,S,N)]
• CAS: 1271884-49-1
• 化学式: C₂₄H₃₁N₂STa
• 分子量: 560.537
• InChiKey: QFKMTDPSHWCVOG-UHFFFAOYSA-N

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：

  [Ta(C5Me5)Me2(((2,2'-diaminophenyl sulfide(-2H))-κ3-N,S,N)] 、 三(五氟苯基)硼烷 以 乙醚 为溶剂， 以64%的产率得到[Ta(C5Me5)Me(((2,2'-diaminophenyl sulfide(-2H))-κ3-N,S,N)][MeB(C6F5)3]
  参考文献：
  名称：

  Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety

  摘要：

  A series of new tantalum complexes containing a [NSN]-type amide ligand (2,2'-diamidophenyl sulfide) have been synthesized and characterized. The complexes [TaCp*Cl-2.{(N-C6H4)(2)S-kappa(3)-N,S,N}] (1) and [TaCp*Me-2{(N-C6H4)(2)S-kappa(3)-N,S,N}] (2) were prepared by reaction of 2,2'-diaminophenyl sulfide with [TaCp*Cl-4] and [TaCp*Me2Cl2], respectively. In addition, [TaCp*MeCl{(N-C6H4)(2)S-kappa(3)-N,S,N}] (3) and [TaCp*(H)(2){(N-C6H4)(2)S-kappa(3)-N,S,N}] (4) were synthesized by reaction of 1 with AlMe3 and NaBEt3H, respectively. The reactivity of these complexes with nucleophiles and electrophiles was also studied, and complexes [TaCp*((BuNCH2)-Bu-t-kappa(2)-C,N){(N-C6H4)(2)S-kappa(3)-N,S,N}] (5) and [TaCp*Me{(N-C6H4)(2)S-kappa(3)-N,S,N}][MeB(C6F5)(3)] (6) were isolated and characterized. The single-crystal,structures of 1 and 4 were determined by X-ray diffraction methods. The NMR chemical shifts of the amidic protons in the complexes allowed us to evaluate the influence that the other ligands in the coordination sphere have on the electronic density of the metal.

  DOI：

  10.1021/om101086c
• 作为产物：
  描述：

  dichloro(pentamethylcyclopentadienyl)dimethyltantalum(V) 、 2 2'-二氨基二苯基硫醚 在 n-C₄H₉Li 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 以52%的产率得到[Ta(C5Me5)Me2(((2,2'-diaminophenyl sulfide(-2H))-κ3-N,S,N)]
  参考文献：
  名称：

  Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety

  摘要：

  A series of new tantalum complexes containing a [NSN]-type amide ligand (2,2'-diamidophenyl sulfide) have been synthesized and characterized. The complexes [TaCp*Cl-2.{(N-C6H4)(2)S-kappa(3)-N,S,N}] (1) and [TaCp*Me-2{(N-C6H4)(2)S-kappa(3)-N,S,N}] (2) were prepared by reaction of 2,2'-diaminophenyl sulfide with [TaCp*Cl-4] and [TaCp*Me2Cl2], respectively. In addition, [TaCp*MeCl{(N-C6H4)(2)S-kappa(3)-N,S,N}] (3) and [TaCp*(H)(2){(N-C6H4)(2)S-kappa(3)-N,S,N}] (4) were synthesized by reaction of 1 with AlMe3 and NaBEt3H, respectively. The reactivity of these complexes with nucleophiles and electrophiles was also studied, and complexes [TaCp*((BuNCH2)-Bu-t-kappa(2)-C,N){(N-C6H4)(2)S-kappa(3)-N,S,N}] (5) and [TaCp*Me{(N-C6H4)(2)S-kappa(3)-N,S,N}][MeB(C6F5)(3)] (6) were isolated and characterized. The single-crystal,structures of 1 and 4 were determined by X-ray diffraction methods. The NMR chemical shifts of the amidic protons in the complexes allowed us to evaluate the influence that the other ligands in the coordination sphere have on the electronic density of the metal.

  DOI：

  10.1021/om101086c