([2,5-Me2-3,4-Ph2(η5-C4CNH2Ph)]Ru(CO)2OTf)OTf | 477178-19-1

• 英文名称: ([2,5-Me2-3,4-Ph2(η5-C4CNH2Ph)]Ru(CO)2OTf)OTf
• CAS: 477178-19-1
• 化学式: CF₃O₃S*C₂₈H₂₃F₃NO₅RuS
• 分子量: 792.696
• InChiKey: HDPRPTZPWMBFRY-UHFFFAOYSA-M

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：

  [2,5-Me2-3,4-Ph2(η5-C4CNHPh)]Ru(CO)2OTf 、 三氟甲磺酸 以 二氯甲烷-D2 为溶剂， 生成 ([2,5-Me2-3,4-Ph2(η5-C4CNH2Ph)]Ru(CO)2OTf)OTf
  参考文献：
  名称：

  Protonated Aminocyclopentadienyl Ruthenium Hydride Reduction of Benzaldehyde and the Conversion of the Resulting Ruthenium Triflate to a Ruthenium Hydride with H₂ and Base

  摘要：

  Reaction of N-phenyl-2,5-dimethyl-3,4-diphenylcyclopenta-2,4-dienimine (6) with Ru3CO12 formed two isomers of {[2,5-Me-2-3,4-Ph-2(eta(5) -C4CNHPh)]Ru(CO)(mu-CO)}(2) (8-trans and 8-cis). Photolysis of 8 under a H-2 atmosphere led to the formation of the aminocyclopentadienyl ruthenium hydride [2,5-Me-2-3,4-Ph-2(eta(5)-C4CNHPh)]Ru(CO)(2)H (9-H). 9-H reduced benzaldehyde slowly at 75 degreesC to give benzyl alcohol and 8. Protonation of 9-H with triflic acid produced {[2,5-Me-2-3,4-Ph-2(eta(5)-C4CNH2Ph)]Ru(CO)(2)H}OTf (11-H), which reacted rapidly with benzaldehyde at -80 degreesC to give benzyl alcohol and [2,5-Me-2-3,4-Ph-2(eta5-C4CNHPh)]Ru(CO)(2)OTf(9-OTf). Reaction of 9-OTf with H2 and base led to the re-formation of 9-H. These reactions provide the transformations required for a catalytic cycle for hydrogenation of aldehydes.

  DOI：

  10.1021/om020507d