fac-(rheniumtricarbonyl)(N-benzoyl tris(pyridin-2-yl)methylamine) bromide | 1227191-79-8

• 英文名称: fac-(rheniumtricarbonyl)(N-benzoyl tris(pyridin-2-yl)methylamine) bromide
• CAS: 1227191-79-8
• 化学式: Br*C₂₆H₁₈N₄O₄Re
• 分子量: 716.564
• InChiKey: NWCPBWPVMPKHGC-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  fac-(rheniumtricarbonyl)(N-benzoyl tris(pyridin-2-yl)methylamine) bromide 以 乙腈 为溶剂， 生成 fac-(rheniumtricarbonyl)(PhCONC(C5H4N)3)
  参考文献：
  名称：

  Studies of rheniumtricarbonyl complexes of tripodal pyridyl-based ligands

  摘要：

  The reaction of N-benzoyl and N-acetyl tris(pyridin-2-yl) methylamine 1b and 1c (LH = tpmbaH and tpmaaH) with [Re(CO)(5)Br] has been investigated and shown to proceed via the initial formation of a cationic rheniumtricarbonyl complex [(LH)Re(CO)(3)]Br in which coordination of the ligand occurs via the three pyridine rings. For tpmbaH 1b, but not tpmaaH 1c, this initial complex 2b readily undergoes the loss of HBr to give a neutral octahedral complex 4b [(L)Re(CO)(3)] where coordination occurs via two of the pyridine rings and the deprotonated amide nitrogen. The H-1 NMR spectrum of the latter complex 4b is very unusual in that at room temperature the signals for the 3-H protons on the coordinated pyridine rings are not visible due to extreme broadening of these resonances. Comparison with the analogous complex 7 from N-benzoyl bis(pyridin-2-yl) methylamine 6b (bpmbaH) confirms that this is due to rotation of the uncoordinated pyridine ring. The structure of the cationic complex 3d [(LH)Re(CO)(3)]Br formed from N-benzyl tris(pyridin-2-yl) methylamine 1d (bz-tpmaH) is also discussed. The crystal structures of complexes [(tpmba)Re(CO)(3)] 4b, [(bz-tpmaH)Re(CO)(3)]Br 3d and [(bpmba)Re(CO)(3)] 7 have been determined. In all complexes the coordination geometry around Re is distorted octahedral with a fac{Re(CO)(3)}(+) core. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.11.039
• 作为产物：
  描述：

  N-[1,1,1-tris(pyridin-2-yl)methyl]benzamide 、 五羰基溴铼(I) 以 甲苯 为溶剂， 以8%的产率得到fac-(rheniumtricarbonyl)(N-benzoyl tris(pyridin-2-yl)methylamine) bromide
  参考文献：
  名称：

  Studies of rheniumtricarbonyl complexes of tripodal pyridyl-based ligands

  摘要：

  The reaction of N-benzoyl and N-acetyl tris(pyridin-2-yl) methylamine 1b and 1c (LH = tpmbaH and tpmaaH) with [Re(CO)(5)Br] has been investigated and shown to proceed via the initial formation of a cationic rheniumtricarbonyl complex [(LH)Re(CO)(3)]Br in which coordination of the ligand occurs via the three pyridine rings. For tpmbaH 1b, but not tpmaaH 1c, this initial complex 2b readily undergoes the loss of HBr to give a neutral octahedral complex 4b [(L)Re(CO)(3)] where coordination occurs via two of the pyridine rings and the deprotonated amide nitrogen. The H-1 NMR spectrum of the latter complex 4b is very unusual in that at room temperature the signals for the 3-H protons on the coordinated pyridine rings are not visible due to extreme broadening of these resonances. Comparison with the analogous complex 7 from N-benzoyl bis(pyridin-2-yl) methylamine 6b (bpmbaH) confirms that this is due to rotation of the uncoordinated pyridine ring. The structure of the cationic complex 3d [(LH)Re(CO)(3)]Br formed from N-benzyl tris(pyridin-2-yl) methylamine 1d (bz-tpmaH) is also discussed. The crystal structures of complexes [(tpmba)Re(CO)(3)] 4b, [(bz-tpmaH)Re(CO)(3)]Br 3d and [(bpmba)Re(CO)(3)] 7 have been determined. In all complexes the coordination geometry around Re is distorted octahedral with a fac{Re(CO)(3)}(+) core. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.11.039