tricarbonyl(η5-t-butylcyclopentadienyl)rhenium | 114238-09-4

• 英文名称: tricarbonyl(η5-t-butylcyclopentadienyl)rhenium
• 英文别名: (η(5)-C5H4tBu)Re(CO)3
• CAS: 114238-09-4
• 化学式: C₁₂H₁₃O₃Re
• 分子量: 391.44
• InChiKey: UZTJMXKDDKOTOT-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：

  tricarbonyl(η5-t-butylcyclopentadienyl)rhenium 、 溴 以 三氟乙酸 为溶剂， 生成 lat-(η(5)-C5H4(t)Bu)Re(CO)2Br2 、 lat-(η(5)-C5H4(t)Bu)Re(CO)2Br2
  参考文献：
  名称：

  Phase-Dependent Diagonal and Lateral Isomerism of the Rhenium Complexes (η⁵-C₅H₄Me)Re(CO)₂Br₂

  摘要：

  The new diagonal and lateral monosubstituted cyclopentadienyl dibromodicarbonylrhenium complexes (eta(5)-C(5)H(4)R)Re(CO)(2)Br-2 (R = Me, Et, tBu, Si(CH3)(3), C6H11) have been synthesized and fully characterized by elemental analysis and IR and NMR spectroscopy. All the lateral complexes are completely converted to the corresponding diagonal isomers upon refluxing in toluene. Interestingly, diag-(eta(5)-C(5)H(4)Me)Re(CO)(2)Br-2 isomerizes to the corresponding lateral isomer in almost quantitative yield upon heating at 106-110 degrees C in the solid state. A DSC study of diag-(eta(5)-C(5)H(4)Me)Re(CO)(2)Br-2 shows that the solid state diag to lat isomerization proceeds exothermically. This is the first example of an organometallic complex that undergoes a phase-dependent reversible isomerization reaction under only thermal conditions.

  DOI：

  10.1021/om950548s
• 作为产物：
  描述：

  十羰基二铼 、 cyclohexane 以 neat (no solvent) 为溶剂， 生成 tricarbonyl(η5-t-butylcyclopentadienyl)rhenium
  参考文献：
  名称：

  Phase-Dependent Diagonal and Lateral Isomerism of the Rhenium Complexes (η⁵-C₅H₄Me)Re(CO)₂Br₂

  摘要：

  The new diagonal and lateral monosubstituted cyclopentadienyl dibromodicarbonylrhenium complexes (eta(5)-C(5)H(4)R)Re(CO)(2)Br-2 (R = Me, Et, tBu, Si(CH3)(3), C6H11) have been synthesized and fully characterized by elemental analysis and IR and NMR spectroscopy. All the lateral complexes are completely converted to the corresponding diagonal isomers upon refluxing in toluene. Interestingly, diag-(eta(5)-C(5)H(4)Me)Re(CO)(2)Br-2 isomerizes to the corresponding lateral isomer in almost quantitative yield upon heating at 106-110 degrees C in the solid state. A DSC study of diag-(eta(5)-C(5)H(4)Me)Re(CO)(2)Br-2 shows that the solid state diag to lat isomerization proceeds exothermically. This is the first example of an organometallic complex that undergoes a phase-dependent reversible isomerization reaction under only thermal conditions.

  DOI：

  10.1021/om950548s