[Cp*RhCl(C6H3-3,5-Me2)(PMe3)] | 1607815-60-0

• 英文名称: [Cp*RhCl(C6H3-3,5-Me2)(PMe3)]
• 英文别名: [Cp*RhCl(C₆H₃-3,5-Me₂)(PMe₃)]
• CAS: 1607815-60-0
• 化学式: C₂₁H₃₃ClPRh
• 分子量: 454.825
• InChiKey: DCQLOBDDUPTEEO-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：

  sodium tetrakis[3,5-bis-(trifluoromethyl)phenyl]borate dihydrate 、 [Cp*RhCl(C6H3-3,5-Me2)(PMe3)] 、 二苯基乙炔 以 1,2-二氯乙烷 为溶剂， 反应 90.0h， 以83%的产率得到[Cp*Rh{C₆H₄-2-(C(C₆H₃-3,5-Me₂)=CHPh)}(PMe₃)][B(3,5-(CF₃)2C₆H₃)4]
  参考文献：
  名称：

  Reversibility of 1,4-Metal Migration in Cp*Rh^III and Cp*Ir^III Complexes

  摘要：

  The (2-ethenyl-4-methylphenyl)arylrhodium complex [Cp*Rh{C6H3-2-(C(Ph)=CHPh)-4-Me}(PMe3)][BAr4F], which is formed from the vinyl-to-aryl 1,4-Rh migration of the 2-(m-tolyl)ethenyl complex [Cp*Rh{C(Ph)=C(C6H4Me-m)Ph}-(PMe3)][BAr4F], is isomerized under mild conditions to the regioisomeric 2-ethenylphenyl complex [Cp*Rh{C6H4-2-(C-(C6H4Me-m)=CHPh)}(PMe3)][BAr4F] by way of a back-reaction to regenerate the 2-(m-tolyl)ethenyl complex intermediate followed by the rotation of the C=C bond and the second 1,4-Rh migration, providing experimental evidence for the reversibility of the vinyl-to-aryl 1,4-metal migration.

  DOI：

  10.1021/om5003232
• 作为产物：
  描述：

  (η5-pentamethylcyclopentadienyl)Rh(trimethylphosphine)Cl2 、 3,5-dimethylphenylmagnesium chloride 以 四氢呋喃 为溶剂， 反应 0.75h， 以69%的产率得到[Cp*RhCl(C6H3-3,5-Me2)(PMe3)]
  参考文献：
  名称：

  Reversibility of 1,4-Metal Migration in Cp*Rh^III and Cp*Ir^III Complexes

  摘要：

  The (2-ethenyl-4-methylphenyl)arylrhodium complex [Cp*Rh{C6H3-2-(C(Ph)=CHPh)-4-Me}(PMe3)][BAr4F], which is formed from the vinyl-to-aryl 1,4-Rh migration of the 2-(m-tolyl)ethenyl complex [Cp*Rh{C(Ph)=C(C6H4Me-m)Ph}-(PMe3)][BAr4F], is isomerized under mild conditions to the regioisomeric 2-ethenylphenyl complex [Cp*Rh{C6H4-2-(C-(C6H4Me-m)=CHPh)}(PMe3)][BAr4F] by way of a back-reaction to regenerate the 2-(m-tolyl)ethenyl complex intermediate followed by the rotation of the C=C bond and the second 1,4-Rh migration, providing experimental evidence for the reversibility of the vinyl-to-aryl 1,4-metal migration.

  DOI：

  10.1021/om5003232