[1,3-(HCC)2-5-((4,4'-dimethyl-2,2'-bipyridine)(CO)3ReCC)C6H3] | 787549-37-5

• 英文名称: [1,3-(HCC)2-5-((4,4'-dimethyl-2,2'-bipyridine)(CO)3ReCC)C6H3]
• 英文别名: [1,3-(HCC)2-5-((Me2bpy)(CO)3ReCC)C6H3]
• CAS: 787549-37-5
• 化学式: C₂₇H₁₇N₂O₃Re
• 分子量: 603.651
• InChiKey: SMWPLWXBMJGEOK-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：
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反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 dichlorobis(triethylphosphine)palladium(II) 、 [1,3-(HCC)2-5-((4,4'-dimethyl-2,2'-bipyridine)(CO)3ReCC)C6H3] 在 triethylamine 、 CuCl 作用下， 以 四氢呋喃 为溶剂， 以27%的产率得到[1,3-(Cl(PEt3)2PdCC)2-5-((Me2bpy)(CO)3ReCC)C6H3]*THF
  参考文献：
  名称：

  Luminescent Heterometallic Branched Alkynyl Complexes of Rhenium(I)−Palladium(II):  Potential Building Blocks for Heterometallic Metallodendrimers

  摘要：

  The photophysical and electrochemical behavior of a novel series of luminescent rhenium(I) complexes bearing a trialkynyl ligand, [1,3-(HCdropC)(2)-5-{(N<^>N)(CO)(3)ReCdropC}C6H3] (N<^>N = (t)Bu(2)bpy 1, Me(2)bpy 2, bpy 3), and their heterometallic branched complexes, [1,3-{Cl(PEt3)(2)PdCdropC}(2)-5-{(N<^>N)(CO)(3)ReCdropC}C6H3] (N<^>N = Me(2)bpy 4, bpy 5), have been studied; the X-ray crystal structures of 2 and 5 have been determined. Density functional theory calculations have also been carried out in order to probe the bonding in these compounds.

  DOI：

  10.1021/om049696l
• 作为产物：
  描述：

  4,4’-dimethyl-2,2’-bipyridine rhenium tricarbonyl chloride 、 1,3,5-三乙炔苯 在 triethylamine 、 AgOTf 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到[1,3-(HCC)2-5-((4,4'-dimethyl-2,2'-bipyridine)(CO)3ReCC)C6H3]
  参考文献：
  名称：

  Luminescent Heterometallic Branched Alkynyl Complexes of Rhenium(I)−Palladium(II):  Potential Building Blocks for Heterometallic Metallodendrimers

  摘要：

  The photophysical and electrochemical behavior of a novel series of luminescent rhenium(I) complexes bearing a trialkynyl ligand, [1,3-(HCdropC)(2)-5-{(N<^>N)(CO)(3)ReCdropC}C6H3] (N<^>N = (t)Bu(2)bpy 1, Me(2)bpy 2, bpy 3), and their heterometallic branched complexes, [1,3-{Cl(PEt3)(2)PdCdropC}(2)-5-{(N<^>N)(CO)(3)ReCdropC}C6H3] (N<^>N = Me(2)bpy 4, bpy 5), have been studied; the X-ray crystal structures of 2 and 5 have been determined. Density functional theory calculations have also been carried out in order to probe the bonding in these compounds.

  DOI：

  10.1021/om049696l