(4,4'-di-tert-butyl-2,2'-bipyridine)dirhenium heptaoxide | 167103-37-9

• 英文名称: (4,4'-di-tert-butyl-2,2'-bipyridine)dirhenium heptaoxide
• CAS: 167103-37-9
• 化学式: C₁₈H₂₄N₂O₇Re₂
• 分子量: 752.812
• InChiKey: PTWIMHBZJZXVEE-UHFFFAOYSA-N

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：

  (4,4'-di-tert-butyl-2,2'-bipyridine)dirhenium heptaoxide 、 水 以 水 为溶剂， 生成 {4,4'-di(t-butyl)-2,2'-bipyridinium}perrhenate
  参考文献：
  名称：

  Multiple Bonds between Transition Metals and Main-Group Elements. 145. Coordination Chemistry of Dirhenium Heptaoxide: Covalent Adducts and "Ionic Perrhenyl-Perrhenates"

  摘要：

  Dirhenium heptaoxide dissolves in donor solvents such as 1,2-dimethoxyethane, thf, and CH3CN to form adducts of the general formula O3ReOReO3 . 2L (L = monodentate ligand site). A strong reactivity enhancement of Re2O7 for alkylation, arylation, and similar reactions follows from this unsymmetric Lewis-base coordination. The terminal and bridging oxygens equilibrate in solution (O-17 NMR). These adducts exhibit unsymmetrical bent oxygen bridges in their solid state structures, e.g. O3ReOReO3 . dme (X-ray diffraction study; crystal data: space group P2(1)/c, a = 12.162(2) Angstrom, b = 10:830(1) Angstrom, c = 8.195(1) Angstrom, beta = 90.80(1)degrees, Z = 4). With stronger, chelating N-donors L(2) such as 2,2'-bipyridine, N,N'-dicyclohexyl-1,4-diazabuta-1,3-dien, and 2,2'-bis(pyrazolyl)propane the Re2O7 . 2L complexes have rigid asymmetric bridges even in solution (O-17 NMR). Thermal decomposition liberates Re2O7 (EI-MS) and the respective ligand (EI-MS, TG-MS). With tridentate ligands L(3) like tris(pyrazolyl)-methane, 1,4,7-triazacyclononane (tacn), N,N',N''-trimethyl-1,4,7-triazacyclononane (tacn*), 1,4,7-trithiacyclononane (ttcn), the Re-O-Re bridge breaks with formation of the ionic perrhenates [ReO(3)L(3)](+)[ReO4](-). An example is the ionic [ReO3(tacn*)](+)[ReO4](-), the structure of which compound has been determined by X-ray diffraction (crystal data: space group P $($) over bar$$ 1, a = 7.389(2) Angstrom, b = 9.143(2) Angstrom, c = 1.2294(3) Angstrom, alpha = 83.68(2)degrees, beta = 77.99(2)degrees, gamma = 89.29(2)degrees, Z = 2). Intermolecular hydrogen bridging plays a major role in the crystal packing of the ionic perrhenates.

  DOI：

  10.1021/ic00123a001
• 作为产物：
  描述：

  七氧化二铼 、 4,4'-二叔丁基-2,2'-二吡啶 以 四氢呋喃 为溶剂， 以95%的产率得到(4,4'-di-tert-butyl-2,2'-bipyridine)dirhenium heptaoxide
  参考文献：
  名称：

  Multiple Bonds between Transition Metals and Main-Group Elements. 145. Coordination Chemistry of Dirhenium Heptaoxide: Covalent Adducts and "Ionic Perrhenyl-Perrhenates"

  摘要：

  Dirhenium heptaoxide dissolves in donor solvents such as 1,2-dimethoxyethane, thf, and CH3CN to form adducts of the general formula O3ReOReO3 . 2L (L = monodentate ligand site). A strong reactivity enhancement of Re2O7 for alkylation, arylation, and similar reactions follows from this unsymmetric Lewis-base coordination. The terminal and bridging oxygens equilibrate in solution (O-17 NMR). These adducts exhibit unsymmetrical bent oxygen bridges in their solid state structures, e.g. O3ReOReO3 . dme (X-ray diffraction study; crystal data: space group P2(1)/c, a = 12.162(2) Angstrom, b = 10:830(1) Angstrom, c = 8.195(1) Angstrom, beta = 90.80(1)degrees, Z = 4). With stronger, chelating N-donors L(2) such as 2,2'-bipyridine, N,N'-dicyclohexyl-1,4-diazabuta-1,3-dien, and 2,2'-bis(pyrazolyl)propane the Re2O7 . 2L complexes have rigid asymmetric bridges even in solution (O-17 NMR). Thermal decomposition liberates Re2O7 (EI-MS) and the respective ligand (EI-MS, TG-MS). With tridentate ligands L(3) like tris(pyrazolyl)-methane, 1,4,7-triazacyclononane (tacn), N,N',N''-trimethyl-1,4,7-triazacyclononane (tacn*), 1,4,7-trithiacyclononane (ttcn), the Re-O-Re bridge breaks with formation of the ionic perrhenates [ReO(3)L(3)](+)[ReO4](-). An example is the ionic [ReO3(tacn*)](+)[ReO4](-), the structure of which compound has been determined by X-ray diffraction (crystal data: space group P $($) over bar$$ 1, a = 7.389(2) Angstrom, b = 9.143(2) Angstrom, c = 1.2294(3) Angstrom, alpha = 83.68(2)degrees, beta = 77.99(2)degrees, gamma = 89.29(2)degrees, Z = 2). Intermolecular hydrogen bridging plays a major role in the crystal packing of the ionic perrhenates.

  DOI：

  10.1021/ic00123a001