[Rh(PhCOCHCOC4H3S)(CO)2] | 1041404-33-4

• 英文名称: [Rh(PhCOCHCOC4H3S)(CO)2]
• 英文别名: [Rh(1-phenyl-3-(2-thenoyl)-1,3-propanedionate)(CO)2]；[Rh(1-phenyl-3-(2-thionyl)-1,3-propanedionato)(CO)2]；[Rh(bth)(CO)2]
• CAS: 1041404-33-4
• 化学式: C₁₅H₉O₄RhS
• 分子量: 388.206
• InChiKey: YVRRPQVLXCMQFR-UHFFFAOYSA-N

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：
  None

反应信息

• 作为反应物：
  描述：

  [Rh(PhCOCHCOC4H3S)(CO)2] 、 三苯基膦 以 正己烷 为溶剂， 以66.7%的产率得到[Rh(1-phenyl-3-(2-thionyl)-1,3-propanedionato)(CO)(PPh3)]
  参考文献：
  名称：

  Methyl iodide oxidative addition to monocarbonylphosphine [Rh((C4H3S)COCHCOR)(CO)(PPh3)] complexes utilizing UV/vis and IR spectrophotometry and NMR spectroscopy to identify reaction intermediates: R=C6H5 or C4H3S

  摘要：

  The chemical kinetics, studied by UV/vis and IR, of the oxidative addition of CH3I to [Rh((C4H3S) COCHCOR)(CO)(PPh3)], with R = C6H5 (Ph) or C4H3S, consists of three definite reaction steps and involves isomers of two distinctly different classes of a Rh-III-alkyl and two distinctly different classes of a Rh-III-acyl species according to the following reaction scheme:Rh-1+CH3 I[reversible arrow(K1,k1)(k-1){Rh-III-alkyl1]reversible arrow(K2,k2)(k-2)[Rh-III-acyl1]}reversible arrow(k3)(k-3)[R-III-alkyl2]reversible arrow(k4)(k-4) [Rh-III-acyl2]The molecular formulas of all the Rh-III-alkyl and Rh-III-acyl species are [Rh((C4H3S) COCHCOR)(CH3)(CO)(PPh3)(I)] and [Rh((C4H3S) COCHCOR)(COCH3)(PPh3)(I)] respectively, but the geometry is different due to different co-ordination positions of the ligands. The equilibrium K-2 was fast enough to be maintained during the Rh-I depletion in the first reaction step and during the Rh-III-alkyl2 formation in the second reaction step. A H-1 and P-31 NMR study of the oxidative addition of CH3I to the different isomers of [Rh((C4H3S) COCHCOC6H5)(CO)(PPh3)], containing an unsymmetrical beta-diketonato ligand, reveals the existence of at least two structural isomers for each reaction intermediate according to the following reaction scheme:[GRAPHICS]The observed rate of formation and depletion of the two Rh I isomers of the [Rh((C4H3S) COCHCO(C6H5))(CO)(PPh3)] complex, as well as the different isomers of each reaction intermediate, are the same, contrary to what was previously found for the formation of the alkyl2 isomers when R = CF3. All reaction intermediates are identified spectroscopically. (C) 2007 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.10.052
• 作为产物：
  描述：

  rhodium(III) chloride trihydrate 、 N,N-二甲基甲酰胺 、 1-苯基-3-(噻吩-2-基)丙烷-1,3-二酮 以 水 为溶剂， 生成 [Rh(PhCOCHCOC4H3S)(CO)2]
  参考文献：
  名称：

  Solid state packing of [Rh(β-diketonato)(CO)2] complexes. Crystal structure of [Rh(PhCOCHCOC4H3S)(CO)2]

  摘要：

  DOI：

  10.1016/j.molstruc.2013.07.046