[Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(η2-(methyl acrylate))][BPh4] | 474267-90-8

• 英文名称: [Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(η2-(methyl acrylate))][BPh4]
• CAS: 474267-90-8
• 化学式: C₁₃H₂₉CuN₃O₂*C₂₄H₂₀B
• 分子量: 642.172
• InChiKey: HXIXQLZFYHCCHZ-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：

  五甲基二乙烯三胺 、 四苯硼钠 、 丙烯酸甲酯（MA） 、 copper(I) bromide 以 甲醇 、 丙酮 为溶剂， 以76.1%的产率得到[Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(η2-(methyl acrylate))][BPh4]
  参考文献：
  名称：

  Towards understanding monomer coordination in atom transfer radical polymerization: synthesis of [CuI(PMDETA)(π-M)][BPh4] (M = methyl acrylate, styrene, 1-octene, and methyl methacrylate) and structural studies by FT-IR and 1H NMR spectroscopy and X-ray crystallography

  摘要：

  Cu-1 complexes of the form [Cu-1(PMDETA)(pi-M)][BPh4] (where PMDETA = N,N,N',N",N"-pentamethyldiethylenetriamine, and M = vinyl monomer) were synthesized and isolated from solution as crystals with methyl acrylate (MA), styrene (Sty), and 1-octene (Oct). The interaction of the C=C double bond of the vinyl monomer with Cu-1 was characterized via FT-IR and H-1 NMR spectroscopy and single crystal X-ray crystallography. A fourth complex with methyl methacrylate (MMA) was synthesized and characterized spectroscopically, but no crystals suitable for X-ray structure analysis could be obtained, In all complexes, PMDETA acts as a tridentate ligand, while the pseudotetrahedral coordination geometry around Cu-1 is completed by a pi-interaction with the C=C double bond of M in the presence of a non-coordinating counter-ion. A decrease in C=C IR stretching frequencies of Deltav(C=C - 110, -80. -109, and -127 cm(-1) for complexes with MA, Sty, Oct, and MMA, respectively, was observed upon coordination. No significant change in C=C bond length was seen in the crystal structure for complexes with MA and Oct while a slight lengthening was observed for the Sty complex. The upfield shift of the vinyl proton resonances indicated the presence of significant pi-back-bonding. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.10.035