(acetylacetonato)carbonylrhodium(I)(2-isopropylphenyl)diphenylphosphane | 590363-04-5

• 英文名称: (acetylacetonato)carbonylrhodium(I)(2-isopropylphenyl)diphenylphosphane
• CAS: 590363-04-5
• 化学式: C₂₇H₂₈O₃PRh
• 分子量: 534.397
• InChiKey: BBHJIIFABTVBPS-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

• 作为产物：
  描述：

  acetylacetonatodicarbonylrhodium(l) 、 1-(diphenylphosphanyl)-2-isopropylbenzene 以 四氢呋喃 为溶剂， 生成 (acetylacetonato)carbonylrhodium(I)(2-isopropylphenyl)diphenylphosphane
  参考文献：
  名称：

  o-Alkyl-substituted aromatic phosphanes for hydroformylation studies: synthesis, spectroscopic characterization and ab initio investigations

  摘要：

  In earlier hydroformylation studies modification of the rhodium catalyst with o-methyl-substituted or o-ethyl-substituted phosphane ligands have increased regioselectivity to branched aldehydes. The promising results achieved created a need for further studies. Hence, a wider group of o-substituted arylphosphane ligands, e.g. (2-cyclohexylphenyl)diphenylphosphane, (2-isopropylphenyl)diphenylphosphane, (2-methylnaphthyl)diphenylphosphane, (2,5-dimethylphenyl)diphenylphosphane and (2-phenylphenyl)diphenylphosphane were synthesized and tested in rhodium-catalyzed hydroformylation to support the,previous findings. Characterization of the ligands was made by NMR spectroscopy (H-1, P-31{H-1}, C-13{H-1}, HSQC, COSY-90 and COLOC). Additional parameters for evaluation of the stereoelectronic properties of the ligands were provided by quantum mechanical calculations and by synthesizing Rh(acac)(CO)(PR3) Complexes. In the rhodium-catalyzed hydroformylation of propene and 1-hexene the ligands increased the formation of branched aldehydes compared to triphenylphosphane. Additionally the increasing size of the o-alkyl-substituent was found to effect favorably to the iso-selectivity. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(03)00022-0