Cu(benzoate)2(3,5-dimethylpyrazole)2 | 913184-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cu(benzoate)2(3,5-dimethylpyrazole)2
• 英文别名: Cu(benzoate)₂(3,5-dimethylpyrazole)₂
• CAS: 913184-64-2
• 化学式: C₂₄H₂₆CuN₄O₄
• 分子量: 498.041
• InChiKey: ZSZBRXSVHLMZSK-UHFFFAOYSA-L

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3,5-二甲基吡唑 、 copper diacetate 、 苯甲酸 以 甲醇 、 甲苯 为溶剂， 反应 1.0h， 以82%的产率得到Cu(benzoate)2(3,5-dimethylpyrazole)2
  参考文献：
  名称：

  Bis(3,5-dimethylpyrazole) copper(II) and zinc(II) complexes as efficient initiators for the ring opening polymerization of ε-caprolactone and d,l-lactide

  摘要：

  3,5-Dimethylpyrazole (L), reacts with [Cu(OAc)(2)] or [Zn(OAc)(2)]; and either C6H5COOH, 4-OH-C6H5COOH, 3,5-NO2-C6H5COOH or 2-Cl-C6H5COOH to afford the corresponding metal complexes: [Cu(C6H5COO)(2)(L)(2)] (1), [Cu(2-Cl-C6H4COO)(2)(L)(2)] (2), [Cu(3,5-NO2-C6H3COO)(2)(L)(2)] (3), [Cu(4-OH-C6H4COO)(2)(L)(2)] (4), [Zn(C6H5COO)(2)(L)(2)] (5), [Zn(2-Cl-C6H4COO)(2)(L)(2)] (6), [Zn(3,5-NO2-C6H3COO)(2)(L)(2)] (7), [Zn(4-OH-C6H4COO)(2)(L)(2)] (8). The diamagnetic zinc complexes were characterized by IR, NMR spectroscopy and elemental analysis; while the paramagnetic copper complexes were only characterized by IR spectroscopy, elemental analysis and 1 and 2 were further characterized by single crystal X-ray diffraction studies. All eight complexes are very good initiators for the ring opening polymerization (ROP) of epsilon-caprolactone and D,L-lactide at elevated temperatures, under solvent-free conditions and in toluene respectively; producing polycaprolactone (PCL) and poly(D,L-lactide) (PLA) of moderate molecular weights (Ca 4757 Da for PCL and 2484 Da for PLA) and narrow polydispersity indices (1.36 for PCL and 1.42 for PLA). The C-13(H-1) NMR spectra indicate the stereochemistry of PLA is heterotactic. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.11.011