[Rh(COD)(4-penten-2-ol)]OTf | 1339940-32-7

• 英文名称: [Rh(COD)(4-penten-2-ol)]OTf
• 英文别名: [Rh(1,5-cyclooctadiene)(4-penten-2-ol)](triflate)
• CAS: 1339940-32-7
• 化学式: CF₃O₃S*C₁₃H₂₂ORh
• 分子量: 446.293
• InChiKey: VRHDEYIUQDUWNW-PHFPKPIQSA-M

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

• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate 、 4-戊烯-2-醇 以 氘代氯仿 为溶剂， 生成 [Rh(COD)(4-penten-2-ol)]OTf
  参考文献：
  名称：

  Enthalpy- vs Entropy-Driven Complexation of Homoallylic Alcohols by Rhodium(I) Complexes

  摘要：

  The thermodynamics of binding between several homoallylic alcohols and simple olefinic Rh(I) compounds was examined with H-1 NMR spectroscopy and isothermal titration calorimetry (ITC). H-1 NMR titrations revealed moderate binding of these alcohols with [Rh(COD)(2)](+) (1) and [Rh(COD)(CH3CN)(2)](+) (3), but weaker binding with [Rh(NBD)(2)](+) (2). ITC indicated that the complexation with [Rh(COD)(2)](+) is mainly governed by enthalpy, whereas binding with [Rh(COD)(CH3CN)(2)](+) is entirely driven by entropy. The thermodynamic parameters for the homoallylic alcohol binding of Rh(I) complexes 1-3 are consistent with crystallographic data.

  DOI：

  10.1021/om200793p