[RuCl(CO)(triphenyphosphine)2(CHCHC6H4-NO2-p)] | 1415100-80-9

• 英文名称: [RuCl(CO)(triphenyphosphine)2(CHCHC6H4-NO2-p)]
• 英文别名: [ruthenium(II)(carbonyl)(chloride)(CHCHC6H4NO2-4)]
• CAS: 1415100-80-9
• 化学式: C₄₅H₃₇ClNO₃P₂Ru
• 分子量: 838.264
• InChiKey: PQTARPMYWFRLHO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [RuCl(CO)(triphenyphosphine)2(CHCHC6H4-NO2-p)] 、 三吡唑啉基硼氢钾 以 二氯甲烷 为溶剂， 反应 1.0h， 以64%的产率得到[ruthenium(II)(tris(pyrazolyl)borate)(PPh3)(carbonyl)(CHCHC6H4NO2-4)]
  参考文献：
  名称：

  Syntheses, structures and redox properties of tris(pyrazolyl)borate-capped ruthenium vinyl complexes

  摘要：

  Reaction of RuHCl(CO)(PPh3)(3) with aryl alkynes HC CC6H4R-4 [1: R = N(C6H4Me-4)(2) (a), OMe (b), Me (c), CO2Me (d), NO2 (e)] gives the five-coordinate vinyl complexes Ru(CH=CHC6H4R-4)Cl(CO)(PPh3)(2) (2a-e). Reaction of 2a with excess PMe3 gives crystallographically characterised Ru{CH=CHC6H4N(C6H4Me-4)(2)-4} Cl(CO)(PMe3)(3) (3a), whilst reaction of 2a-e with KTp affords Ru(CH=CHC6H4R-4)(CO)(PPh3)Tp (4a-e) bearing the facially capping Tp(-) ligand. Electrochemical and spectroelectochemical properties of 4a-e are consistent with substantial redox activity associated with the vinyl ligand, and these properties have been satisfactorily modelled by DFT based calculations of electronic structure. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.09.001
• 作为产物：
  描述：

  [Ru(H)(Cl)(CO)(PCy3)2] 、 1-乙炔基-4-硝基苯 以 二氯甲烷 为溶剂， 反应 0.67h， 生成 [RuCl(CO)(triphenyphosphine)2(CHCHC6H4-NO2-p)]
  参考文献：
  名称：

  Syntheses, structures and redox properties of tris(pyrazolyl)borate-capped ruthenium vinyl complexes

  摘要：

  Reaction of RuHCl(CO)(PPh3)(3) with aryl alkynes HC CC6H4R-4 [1: R = N(C6H4Me-4)(2) (a), OMe (b), Me (c), CO2Me (d), NO2 (e)] gives the five-coordinate vinyl complexes Ru(CH=CHC6H4R-4)Cl(CO)(PPh3)(2) (2a-e). Reaction of 2a with excess PMe3 gives crystallographically characterised Ru{CH=CHC6H4N(C6H4Me-4)(2)-4} Cl(CO)(PMe3)(3) (3a), whilst reaction of 2a-e with KTp affords Ru(CH=CHC6H4R-4)(CO)(PPh3)Tp (4a-e) bearing the facially capping Tp(-) ligand. Electrochemical and spectroelectochemical properties of 4a-e are consistent with substantial redox activity associated with the vinyl ligand, and these properties have been satisfactorily modelled by DFT based calculations of electronic structure. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.09.001