[Fe(η5-C5Me4PPh2)(η5-C5Me4P(O)Ph2)] | 165557-65-3

• 英文名称: [Fe(η5-C5Me4PPh2)(η5-C5Me4P(O)Ph2)]
• CAS: 165557-65-3
• 化学式: C₄₂H₄₄FeOP₂
• 分子量: 682.605
• InChiKey: JCEOBHZSEXSDJN-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：

  tetrakis(acetonitrile)palladium(II) tetrafluoroborate 、 [Fe(η5-C5Me4PPh2)(η5-C5Me4P(O)Ph2)] 以 二氯甲烷-D2 、 氘代乙腈 为溶剂， 生成 [(Fe(η5-C5Me4PPh2)(η5-C5Me4P(O)Ph2))Pd(NCMe)2](BF4)2
  参考文献：
  名称：

  Palladium (II) complexes with mono-oxide 1,1′-bis(diphenylphosphino)metallocene ligands [Fe(η5-C5Me4PPh2)(η5-C5Me4P{O}Ph2)] and [Os(η5-C5H4PPh2)(η5-C5H4P{O}Ph2)]

  摘要：

  The monoxides [Fe(eta(5)-C5Me4PPh2)(eta(5)-C5Me4P{O}Ph-2)](1) and [Os(eta(5) -C5H4PPh2)(eta(5-)C(5)H(4)P{O}Ph-2)] (2) have been prepared by treatment of the corresponding diphosphines with CCl4 and methanol.These ligands react with [Pd(PhCN)(2)Cl-2] to give dichloride complexes of different structure.The dimeric complex [{Os(eta(5)-C5H4PPh2)(eta(5)-C5H4P{O}Ph-2)}PdCl(mu-Cl)](2) (4) contains the monodentate P-coordinated osmocene ligand with the free PjOjPh2 group, while the octamethylferrocene ligand gives the chelate k(2)-P,O complex [{Fe(eta(5)-C5Me4PPh2)(eta(5)-C5Me4P{O}Ph-2)}PdCl2] (3).The structures of 3 and 4 have been determined crystallographically.Treatment of 3 and 4 with silver salts in CH2Cl2 or acetonitrile leads to the corresponding dicationic complexes [{M(eta(5)- C5R4PPh2)(eta(5)-C5R4P{O}Ph-2)}Pd(MeCN)(x)](2+) (5, M = Fe, R = Me; 6, M = Os, R = H). Complex 5 decomposes upon isolation, in contrast 6 is rather stable, probably due to Os-Pd bonding. The dichlorides 3 and 4 catalyze catalytic amination of p-bromotoluene with N-(4-tolyl)morpholine with lower activity than (dppf)PdCl2, however they perform comparable to (dppf)PdCl2 activity in coupling of p-bromotoluene with p-methoxyphenyl boronic acid. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.01.025
• 作为产物：
  描述：

  甲醇 、 Fe((phenylphosphino)tetramethylcyclopentadienyl) 以 甲醇 、 四氯化碳 、 苯 为溶剂， 以53%的产率得到[Fe(η5-C5Me4PPh2)(η5-C5Me4P(O)Ph2)]
  参考文献：
  名称：

  Palladium (II) complexes with mono-oxide 1,1′-bis(diphenylphosphino)metallocene ligands [Fe(η5-C5Me4PPh2)(η5-C5Me4P{O}Ph2)] and [Os(η5-C5H4PPh2)(η5-C5H4P{O}Ph2)]

  摘要：

  The monoxides [Fe(eta(5)-C5Me4PPh2)(eta(5)-C5Me4P{O}Ph-2)](1) and [Os(eta(5) -C5H4PPh2)(eta(5-)C(5)H(4)P{O}Ph-2)] (2) have been prepared by treatment of the corresponding diphosphines with CCl4 and methanol.These ligands react with [Pd(PhCN)(2)Cl-2] to give dichloride complexes of different structure.The dimeric complex [{Os(eta(5)-C5H4PPh2)(eta(5)-C5H4P{O}Ph-2)}PdCl(mu-Cl)](2) (4) contains the monodentate P-coordinated osmocene ligand with the free PjOjPh2 group, while the octamethylferrocene ligand gives the chelate k(2)-P,O complex [{Fe(eta(5)-C5Me4PPh2)(eta(5)-C5Me4P{O}Ph-2)}PdCl2] (3).The structures of 3 and 4 have been determined crystallographically.Treatment of 3 and 4 with silver salts in CH2Cl2 or acetonitrile leads to the corresponding dicationic complexes [{M(eta(5)- C5R4PPh2)(eta(5)-C5R4P{O}Ph-2)}Pd(MeCN)(x)](2+) (5, M = Fe, R = Me; 6, M = Os, R = H). Complex 5 decomposes upon isolation, in contrast 6 is rather stable, probably due to Os-Pd bonding. The dichlorides 3 and 4 catalyze catalytic amination of p-bromotoluene with N-(4-tolyl)morpholine with lower activity than (dppf)PdCl2, however they perform comparable to (dppf)PdCl2 activity in coupling of p-bromotoluene with p-methoxyphenyl boronic acid. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.01.025