[Ru(CO)3Cl2(2-chloropyrazine-κN4)] | 878002-93-8

• 英文名称: [Ru(CO)3Cl2(2-chloropyrazine-κN4)]
• 英文别名: [Ru(CO)3Cl2(2-Cl-pz)]
• CAS: 878002-93-8
• 化学式: C₇H₃Cl₃N₂O₃Ru
• 分子量: 370.541
• InChiKey: BVVLADXGACOFIN-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  dicarbonyldichlororuthenium 、 2-氯吡嗪 以 乙醇 为溶剂， 以92%的产率得到[Ru(CO)3Cl2(2-chloropyrazine-κN4)]
  参考文献：
  名称：

  Monomeric ruthenium carbonyls containing 2-substituted pyrazinesFrom synthesis to catalytic activity in 1-hexene hydroformylation

  摘要：

  Synthesis and catalytic properties of a series of ruthenium carbonyl complexes with 2-substituted pyrazine ligands (pz-R R = Cl, OMe, SMe, CN, NH2) have been studied. Reactions between the [Ru(CO)(3)Cl-2](2) and the pyrazines led mainly to mononuclear compounds of the type [Ru(CO)(3)(R-pz)]. All of these ruthenium pyrazine compounds showed activity in 1-hexene hydroformylation. With an exception of NH2, addition of the substituent to the pyrazine ring was found to improve the catalytic activity compared to the unsubstituted pyrazine. The catalytic cycle was studied by computational DFT methods. The results suggest that the key step in the formation of the active species involves release of one of the carbonyl in the cis position with respect to the pyrazine ring. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2005.06.028