Ta(tetrahydroquinolinyl)2(OC6H3-2,6-(i)Pr2)2Cl | 181864-46-0

• 英文名称: Ta(tetrahydroquinolinyl)2(OC6H3-2,6-(i)Pr2)2Cl
• CAS: 181864-46-0
• 化学式: C₄₂H₅₄ClN₂O₂Ta
• 分子量: 835.304
• InChiKey: ZKZDVQXORHXPAZ-UHFFFAOYSA-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

• 作为产物：
  描述：

  Ta(tetrahydroquinolinyl)2Cl3 、 LiO-2,6-C6H3-i-Pr2*Et2O 以 乙醚 、 苯 为溶剂， 以98%的产率得到Ta(tetrahydroquinolinyl)2(OC6H3-2,6-(i)Pr2)2Cl
  参考文献：
  名称：

  Tetrahydroquinolinyl Amido and Indolinyl Amido Complexes of Tantalum as Models for Substrate−Catalyst Adducts in Hydrodenitrogenation Catalysis

  摘要：

  The reactions of TaCl5 with Me(3)SiNC(9)H(10) or LiNC9H10, where [NC9H10](-) = tetrahydroquinolinyl (the amido anion of tetrahydroquinoline), afford selective preparative routes to the complete series of amido halide complexes of tantalum(V) Ta(NC9H10)(n)Cl-5-n for n = 1-5 (compounds 1-5, respectively). The monokis(tetrahydroquinolinyl) complex is isolated as an ether adduct Ta(NC9H10)Cl-4(OEt(2)) while the complexes Ta(NC9H10)(n)Cl-5-n (n = 2-5) are found to be base-free, monomeric species. The related complexes of indolinyl [NC8H8](-) (the amido anion of indoline), Ta(NC8H8)(n)Cl-5-n(THF) for n = 1 (6) or 2 (7), have been prepared from TaCl5, Me(3)SiNC(8)H(8), and THF. An X-ray structural determination of Ta(NC9H10)(2)Cl-3 (2) reveals that it adopts a trigonal bipyramidal geometry with equatorial amido ligands that are closer to lying parallel (within) than perpendicular to the TBP equatorial plane. Routes to mixed-ligand aryloxide-amide complexes have been developed from either aryloxide or amido precursors but not from both. Thus, Ta(NC9H10)(OAr)Cl-3(OEt(2)) (8), where Ar = 2,6-(C6H3Pr2)-Pr-i, and Ta(NC8H8)(OAr)Cl-3(OEt(2)) (9) are available from reacting Ta(OAr)Cl-4(OEt(2)) with Me(3)SiNC(9)H(10) and Me(3)SiNC(8)H(8), respectively, while Ta(NC9H10)(2)(OAr)(2)Cl (10) is available from Ta(NC9H10)(2)Cl-3 (2) and excess LiOAr . OEt(2). The alkyl derivatives Ta(NC9H10)(OAr)Me(2)Cl (11), Ta(NC9H10)(OAr)Et(2)Cl (12), Ta(NC9H10)(2)(OAr)(2)Me (13), and Ta(NC9H10)Me(2)Cl(2) (14) are prepared from AlR(3) or ZnR(2) reagents and the appropriate precursor. Thermolyzing compounds 4, 5, and 11-14 in solution afforded no evidence for the formation of any eta(2)(N,C)-heterocyclic complexes arising from metalation of a NC9H10 ligand.

  DOI：

  10.1021/ic960298n