[Re(CO)10(μ-H)3(μ-η2-pyrimidine)] | 681146-54-3

• 英文名称: [Re(CO)10(μ-H)3(μ-η2-pyrimidine)]
• CAS: 681146-54-3
• 化学式: C₁₄H₆N₂O₁₀Re₃
• 分子量: 920.83
• InChiKey: ABIYJFDAUGMLNX-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

• 作为产物：
  描述：

  吡啶 、 嘧啶 、 [NEt4N][Re3(μ-H)4(CO)10] 以 吡啶 、 氘代丙酮 为溶剂， 生成 [Re(CO)10(μ-H)3(μ-η2-pyridine)] 、 [Re(CO)10(μ-H)3(μ-η2-pyrimidine)] 、 [Re(CO)10(μ-H)3(μ-η2-pyrimidine)]
  参考文献：
  名称：

  Competition studies on the activation of the C_H bond of diazines by the unsaturated triangular cluster anion [Re3(μ-H)4(CO)10]−

  摘要：

  The reactions of the unsaturated cluster anion [Re-3(mu-H)(4)(CO)(10)](-) (1) with 1,2-, 1,3- and 1,4-diazines (used as solvents) have been investigated. The reaction with 1,2-diazine at room temperature gives quantitatively the anion [Re-3(mu-H)(2)(mu-eta(2)-N2C4H4)(CO)(10)](-) (3), containing a diazine bridging through the two N atoms, characterised by single crystal X-ray analysis. The orthometallated isomer [Re-3(mu-H)(3)(mu-eta(2)-N2C4H3)(CO)(10)](-) (4) was obtained by refluxing 3 in toluene. The reaction of [NEt4]1 in molten 1,4-diazine (60degreesC) affords the anion [Re-3(mu-H)(3)(mu-eta(2)-N2C4H3)(CO)(10)](-) (5), containing orthometallated pyrazine. The slow reaction of [NEt4]1 with 1,3-diazine at room temperature gives two orthometallated isomers 6, corresponding to the metallation of carbon C2 (6a) and C6 (6b), respectively (6b/6a ratio ca. 1.2). Differently from what previously found for the analogous cluster anion containing orthometallated pyridine, the metallation reaction of diazines showed little reversibitity, and poor conversion of 5 and 6 to the starting anion 1 was observed after several days under 100 atm of H-2). Competition experiments, performed by dissolving [NEt4]1 in equimolar mixtures of pyridine/pyrazine or pyridine/pyrimidine, showed that the anion with metallated pyridine was the kinetically preferred product and that at longer times it slowly converted to the derivatives with metallated diazines (5 or 6). (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(03)00318-2