[(η5-pentamethylcyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)2Cl] | 537035-76-0

• 英文名称: [(η5-pentamethylcyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)2Cl]
• 英文别名: [(η⁵-pentamethylcyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)₂Cl]；[(C₅Me₅)Ru(PTA)₂Cl]；[(pentamethylcyclopentadienyl)ruthenium(II)(1,3,5-triaza-7-phosphaadamantane)2Cl]；[(C5(CH3)5)RuCl(1,3,5-triaza-7-phosphaadamantane)2]；[Cp*RuCl(7-phospha-1,3,5-triazaadamantane)2]；RuCp*Cl(1,3,5-triaza-7-phosphadamantane)2；RuCp*Cl(PTA)2
• CAS: 537035-76-0
• 化学式: C₂₂H₃₉ClN₆P₂Ru
• 分子量: 586.062
• InChiKey: CDFXZEXMQISVOQ-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  [(η5-pentamethylcyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)2Cl] 、 氢气 在 benzylideneacetone 作用下， 以 氘代四氢呋喃 、 水 为溶剂， 生成 [(C5(CH3)5)RuH(1,3,5-triaza-7-phosphaadamantane)2]
  参考文献：
  名称：

  Akbayeva, Dina N; Gonsalvi, Luca; Oberhauser, Werner, Chemical Communications, 2003, # 2, p. 264 - 265

  摘要：

  DOI：
• 作为产物：
  描述：

  五甲基环戊二烯基双(三苯基膦)氯化钌(II) 、 1,3,5-三氮杂-7-磷杂金刚烷 以 甲苯 为溶剂， 生成 [(η5-pentamethylcyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)2Cl]
  参考文献：
  名称：

  Akbayeva, Dina N; Gonsalvi, Luca; Oberhauser, Werner, Chemical Communications, 2003, # 2, p. 264 - 265

  摘要：

  DOI：

文献信息

• Counterion-dependent deuteration of pentamethylcyclopentadiene in water-soluble cationic Rh(iii) complexes assisted by PTA
  作者：Gianluca Ciancaleoni、Sandra Bolaño、Jorge Bravo、Maurizio Peruzzini、Luca Gonsalvi、Alceo Macchioni

  DOI：10.1039/c003056m

  日期：——

  [Cp*RhCl(PTA)2]X (PTA = 7-phospha-1,3,5-triazaadamantane) undergoes an H/D exchange process between the methyl groups of Cp* and D2O whose rate depends on the coordinating ability of the counterion X−. Kinetic studies and DFT calculations indicate that deuteration involves the abstraction of a Me-Cp* proton by a coordinated OH−; the formation of the latter seems to be facilitated by the presence of the N-basic centers of PTA.

  [Cp*RhCl(PTA)2]X（PTA = 7-磷-1,3,5-三氮杂金刚烷）在 Cp* 的甲基和 D2O 之间经历了一个 H/D 交换过程，其速率取决于反离子 X- 的配位能力。动力学研究和 DFT 计算表明，氘化涉及配位 OH- 对 Me-Cp* 质子的抽取；PTA 的 N 碱中心的存在似乎促进了后者的形成。
• Water soluble ruthenium cyclopentadienyl and aminocyclopentadienyl PTA complexes as catalysts for selective hydrogenation of α,β-unsaturated substrates (PTA=1,3,5-triaza-7-phosphaadamantane)
  作者：Sandra Bolaño、Luca Gonsalvi、Fabrizio Zanobini、Francesco Vizza、Valerio Bertolasi、Antonio Romerosa、Maurizio Peruzzini

  DOI：10.1016/j.molcata.2004.06.030

  日期：2004.12

  A series of half-sandwich Ru-cyclopentadienyl derivatives containing the cage-like water soluble monodentate phosphine 1,3,5-triaza-7-phosphaadamantane (PTA) was synthesized and tested in aqueous phase or biphasic homogeneous hydrogenation of activated olefins via hydrogen transfer or under hydrogen pressure at mild conditions. The hydrogen transfer results show higher activity for the Cp* derivatives (Cp* = C5Me5) than for the corresponding Cp complexes (CP = C5H5). Under H, pressure, all complexes show high selectivity to C=C double bond hydrogenation. The X-ray crystal structure featuring a protonated 2-aminoethylcyclopentadienyl Ru complex was also determined. (C) 2004 Elsevier B.V. All rights reserved.