[(η5-C5Me5)Ta(C(Me)=N-t-Bu-κ(2)C,N)(OTf)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)] | 1360536-00-0

• 英文名称: [(η5-C5Me5)Ta(C(Me)=N-t-Bu-κ(2)C,N)(OTf)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)]
• CAS: 1360536-00-0
• 化学式: C₃₁H₃₆F₃N₂O₆STa
• 分子量: 802.646
• InChiKey: BQPOIHZTNWRNOR-PGGSIGJZSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为反应物：
  描述：

  二氯甲烷 、 [(η5-C5Me5)Ta(C(Me)=N-t-Bu-κ(2)C,N)(OTf)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)] 、 水 以 二氯甲烷 、 水 为溶剂， 以27%的产率得到[(η5-C5Me5)Ta(C(Me)=N-t-Bu-κ(2)C,N)(H2O)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)][OTf]*0.5CH2Cl2
  参考文献：
  名称：

  Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity

  摘要：

  The tantalum complex [TaCp*Me-2(OOCPhN=CHPhO-kappa O-3,N,O)] (2) has been synthe-sized by reaction of [TaCp*Me-4] (Cp* = eta(5)-C5Me5) with 2- (salicylideneamino)benzoic acid. Complex 2 reacts with HOTf), to yield the new tantalum derivative [TaCp*Me(OTf)-(OOCPhN=CHPhO-kappa O-3,N,O)] (3). Moreover, compound 3 reacts with (BuNC)-Bu-t or xylyINC to yield the iminoacylcontaining complexes [TaCp*(C(Me)=NR-kappa C-2,N)(OTf)-(OOCPhN=CHPhO-kappa O-3,N,O)] (R = Bu-t (4), 2,6-Me2C6H3 (5)). Compound 4 reacts with water to render the corresponding aqua adduct [TaCp*(C(Me)=(NBu)-Bu-t-kappa C-2,N)(H2O)(OOCPhN=CHPhO-kappa O-3,N,O)]OTf (6). The reaction of 2 with B(C6F5)(3) in a 1:1 molar ratio yields the corresponding carboxylate adduct [TaCp*Me-2(OOCPhN=CH]PhO center dot B(C6F5)(3)(-)kappa O-3,N,O)] (7). The reaction of compound 2 with H[BF4] gives the BF3 adduct [TaCp*FMe(OOCPhN=CHPhO center dot BF3-kappa O-3,N,O)] (8). Compound 8 decomposes in CH2Cl2 at room temperature to render [BF(OOCPhN=CHPhO-kappa O-3,N,O)] (9). The molecular structures of complexes 2, 3, 6, and 9 have been established by X-ray diffraction methods.

  DOI：

  10.1021/om201199p
• 作为产物：
  描述：

  异氰酸叔丁酯 、 [(η5-C5Me5)TaMe(OTf)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)]*0.5CH2Cl2 以 二氯甲烷 为溶剂， 以76%的产率得到[(η5-C5Me5)Ta(C(Me)=N-t-Bu-κ(2)C,N)(OTf)(O2CC6H4N=CHC6H4O-κ(3)O,N,O)]
  参考文献：
  名称：

  Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity

  摘要：

  The tantalum complex [TaCp*Me-2(OOCPhN=CHPhO-kappa O-3,N,O)] (2) has been synthe-sized by reaction of [TaCp*Me-4] (Cp* = eta(5)-C5Me5) with 2- (salicylideneamino)benzoic acid. Complex 2 reacts with HOTf), to yield the new tantalum derivative [TaCp*Me(OTf)-(OOCPhN=CHPhO-kappa O-3,N,O)] (3). Moreover, compound 3 reacts with (BuNC)-Bu-t or xylyINC to yield the iminoacylcontaining complexes [TaCp*(C(Me)=NR-kappa C-2,N)(OTf)-(OOCPhN=CHPhO-kappa O-3,N,O)] (R = Bu-t (4), 2,6-Me2C6H3 (5)). Compound 4 reacts with water to render the corresponding aqua adduct [TaCp*(C(Me)=(NBu)-Bu-t-kappa C-2,N)(H2O)(OOCPhN=CHPhO-kappa O-3,N,O)]OTf (6). The reaction of 2 with B(C6F5)(3) in a 1:1 molar ratio yields the corresponding carboxylate adduct [TaCp*Me-2(OOCPhN=CH]PhO center dot B(C6F5)(3)(-)kappa O-3,N,O)] (7). The reaction of compound 2 with H[BF4] gives the BF3 adduct [TaCp*FMe(OOCPhN=CHPhO center dot BF3-kappa O-3,N,O)] (8). Compound 8 decomposes in CH2Cl2 at room temperature to render [BF(OOCPhN=CHPhO-kappa O-3,N,O)] (9). The molecular structures of complexes 2, 3, 6, and 9 have been established by X-ray diffraction methods.

  DOI：

  10.1021/om201199p