cis,trans,cis-[Rh(H)2(PPh3)2(benzylamine)2]PF6 | 790673-68-6

• 英文名称: cis,trans,cis-[Rh(H)2(PPh3)2(benzylamine)2]PF6
• CAS: 790673-68-6
• 化学式: C₅₀H₅₀N₂P₂Rh*F₆P
• 分子量: 988.778
• InChiKey: WIJQEYFBRAEPOK-UHFFFAOYSA-N

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：
  None

反应信息

• 作为反应物：
  描述：

  cis,trans,cis-[Rh(H)2(PPh3)2(benzylamine)2]PF6 以 二氯甲烷-D2 为溶剂， 生成 cis-[Rh(PPh3)2(benzylamine)2]PF6
  参考文献：
  名称：

  Rhodium−Hydrido−Benzylamine−Triphenylphosphine Complexes:  Solid-State and Solution Structures and Implications in Catalyzed Imine Hydrogenation

  摘要：

  The complexes cis, trans, cis-[Rh(H)(2)(PPh3)(2)(NH2CH2Ph)(2)]PF6 (1) and cis-[Rh(PPh3)(2)(NH2CH2Ph)(2)]PF6 (2) are characterized by X-ray crystallography; the structures are maintained in CH2Cl2 where the species are in equilibrium under H-2. In MeOH and in acetone, loss of amine and/or H-2 can occur. Traces of 1 and 2 are present after a Rh-catalyzed H-2-hydrogenation of PhCH=NCH2Ph in MeOH, where the amine is generated by hydrolysis of the imine substrate through adventitious water. The findings are relevant to catalyst poisoning in the catalytic process.

  DOI：

  10.1021/ic049227b
• 作为产物：
  描述：

  cis-[Rh(PPh3)2(benzylamine)2]PF6*0.5(methanol) 、 氢气 、 N-苄烯丁胺 以 二氯甲烷-D2 为溶剂， 生成 cis,trans,cis-[Rh(H)2(PPh3)2(benzylamine)2]PF6
  参考文献：
  名称：

  Rhodium−Hydrido−Benzylamine−Triphenylphosphine Complexes:  Solid-State and Solution Structures and Implications in Catalyzed Imine Hydrogenation

  摘要：

  The complexes cis, trans, cis-[Rh(H)(2)(PPh3)(2)(NH2CH2Ph)(2)]PF6 (1) and cis-[Rh(PPh3)(2)(NH2CH2Ph)(2)]PF6 (2) are characterized by X-ray crystallography; the structures are maintained in CH2Cl2 where the species are in equilibrium under H-2. In MeOH and in acetone, loss of amine and/or H-2 can occur. Traces of 1 and 2 are present after a Rh-catalyzed H-2-hydrogenation of PhCH=NCH2Ph in MeOH, where the amine is generated by hydrolysis of the imine substrate through adventitious water. The findings are relevant to catalyst poisoning in the catalytic process.

  DOI：

  10.1021/ic049227b