[Rh(2-thenoyltrifluoroacetonate)(CO)2] | 67415-30-9

• 英文名称: [Rh(2-thenoyltrifluoroacetonate)(CO)2]
• 英文别名: [Rh(CO)2(2-thenoyltrifluoroacetonate)]；[Rh(CO)2(tta)]
• CAS: 67415-30-9
• 化学式: C₁₀H₄F₃O₄RhS
• 分子量: 380.106
• InChiKey: CKNVKQGAGOBNCN-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：

  三苯基膦 、 [Rh(2-thenoyltrifluoroacetonate)(CO)2] 以 正己烷 为溶剂， 以40.1%的产率得到[Rh(2-thenoyltrifluoroacetonate)(CO)(PPh3)]
  参考文献：
  名称：

  A kinetic study of the oxidative addition of methyl iodide to [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)] utilizing UV/vis and IR spectrophotometry and 1H, 19F and 31P NMR spectroscopy. Synthesis of [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)(CH3)(I)]

  摘要：

  IR and UV/vis spectrophotometric and H-1, F-19 and P-31 NMR spectroscopic techniques have been utilized to study the kinetics of oxidative addition of CH3I to [Rh(tta)(CO)(PPh3)] with Htta = (C4H3S)COCH2COCF3 = 2-thenoyltrifluoroacetone. Two definite reactions steps involving isomers of at least two distinctly different classes of Rh-III-alkyl and a Rh-III-acyl species were observed. NMR spectroscopy revealed that each reaction product exists in solution of two observable isomers in equilibrium with each other. The observed rate of oxidative addition of iodomethane to the different [Rh(tta)(CO)(PPh3)] isomers was the same, but the rate of formation of the two isomers of the final Rh-III-alkyl2 reaction product, [Rh(tta)(CO)(CH3)(PPh3)(I)], differs. Results provided the following reaction mechanism.[GRAPHICS]The equilibrium K-2 was fast enough to be maintained during the [Rh(tta)(CO)(PPh3)] depletion in the first reaction step and during the Rh-III-alkyl2 formation in the second reaction step. The molecular formulae of all the Rh-III-alkyl and Rh-III-acyl species are [Rh(tta)(CH3)(CO)(PPh3)(I)] and [Rh(tta)(COCH3)(PPh3)(I)], respectively, but the geometries are different due to different co-ordination positions of the ligands. The final Rh-III-alkyl2 reaction product is isolated and characterized. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.010
• 作为产物：
  描述：

  氯化铑(三水) 、 2-噻吩甲酰三氟丙酮 、 一氧化碳 以 N,N-二甲基甲酰胺 为溶剂， 以89.6%的产率得到[Rh(2-thenoyltrifluoroacetonate)(CO)2]
  参考文献：
  名称：

  A kinetic study of the oxidative addition of methyl iodide to [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)] utilizing UV/vis and IR spectrophotometry and 1H, 19F and 31P NMR spectroscopy. Synthesis of [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)(CH3)(I)]

  摘要：

  IR and UV/vis spectrophotometric and H-1, F-19 and P-31 NMR spectroscopic techniques have been utilized to study the kinetics of oxidative addition of CH3I to [Rh(tta)(CO)(PPh3)] with Htta = (C4H3S)COCH2COCF3 = 2-thenoyltrifluoroacetone. Two definite reactions steps involving isomers of at least two distinctly different classes of Rh-III-alkyl and a Rh-III-acyl species were observed. NMR spectroscopy revealed that each reaction product exists in solution of two observable isomers in equilibrium with each other. The observed rate of oxidative addition of iodomethane to the different [Rh(tta)(CO)(PPh3)] isomers was the same, but the rate of formation of the two isomers of the final Rh-III-alkyl2 reaction product, [Rh(tta)(CO)(CH3)(PPh3)(I)], differs. Results provided the following reaction mechanism.[GRAPHICS]The equilibrium K-2 was fast enough to be maintained during the [Rh(tta)(CO)(PPh3)] depletion in the first reaction step and during the Rh-III-alkyl2 formation in the second reaction step. The molecular formulae of all the Rh-III-alkyl and Rh-III-acyl species are [Rh(tta)(CH3)(CO)(PPh3)(I)] and [Rh(tta)(COCH3)(PPh3)(I)], respectively, but the geometries are different due to different co-ordination positions of the ligands. The final Rh-III-alkyl2 reaction product is isolated and characterized. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.010