(η5-C5Me5)(CO)2Re-(η2-tert-butylbenzene) | 339165-05-8

• 英文名称: (η5-C5Me5)(CO)2Re-(η2-tert-butylbenzene)
• CAS: 339165-05-8
• 化学式: C₂₂H₂₉O₂Re
• 分子量: 511.678
• InChiKey: VONMAJCCUDFCSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  吡啶 、 (η5-C5Me5)(CO)2Re-(η2-tert-butylbenzene) 以 正庚烷 为溶剂， 生成 (η5-C5Me5)(CO)2Re(pyridine)
  参考文献：
  名称：

  Kinetic and Mechanistic Study of the Displacement of η²-Coordinated Arenes from Cp*Re(CO)₂(η²-C₆H₅R) (R = H, CH₃, C(CH₃)₃):  Evidence for a Dissociative Mechanism and Estimation of the Re−(η²-Arene) Bond Strength

  摘要：

  The displacement of the arene molecule from Cp*Re(CO)(2)(eta (2)-arene) (arene = benzene, toluene, tert-butylbenzene) by pyridine in heptane solution is studied. The rate constants for arene dissociation from the Re center are found to vary in the order Cp*(CO)(2)Re-(eta (2)-toluene) < Cp*(CO)(2)Re-((2)-benzene) approximate to Cp*(CO)(2)Re-(eta (2)-tert-butylbenzene) and are a function of the steric and electronic properties of the arene substituents. Activation parameters yield a lower limit of 19-21 kcal/mol for the Cp*(CO)(2)Re-(eta (2)-arene) bond strength.

  DOI：

  10.1021/om0010464
• 作为产物：
  描述：

  叔丁基苯 、 Pentamethylcyclopentadienylrhenium tricarbonyl, min. 98% 以 正庚烷 为溶剂， 生成 (η5-C5Me5)(CO)2Re-(η2-tert-butylbenzene)
  参考文献：
  名称：

  Kinetic and Mechanistic Study of the Displacement of η²-Coordinated Arenes from Cp*Re(CO)₂(η²-C₆H₅R) (R = H, CH₃, C(CH₃)₃):  Evidence for a Dissociative Mechanism and Estimation of the Re−(η²-Arene) Bond Strength

  摘要：

  The displacement of the arene molecule from Cp*Re(CO)(2)(eta (2)-arene) (arene = benzene, toluene, tert-butylbenzene) by pyridine in heptane solution is studied. The rate constants for arene dissociation from the Re center are found to vary in the order Cp*(CO)(2)Re-(eta (2)-toluene) < Cp*(CO)(2)Re-((2)-benzene) approximate to Cp*(CO)(2)Re-(eta (2)-tert-butylbenzene) and are a function of the steric and electronic properties of the arene substituents. Activation parameters yield a lower limit of 19-21 kcal/mol for the Cp*(CO)(2)Re-(eta (2)-arene) bond strength.

  DOI：

  10.1021/om0010464