[Cu(4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine)2][BF4]*H2O | 1373925-25-7

• 英文名称: [Cu(4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine)2][BF4]*H2O
• CAS: 1373925-25-7
• 化学式: BF₄*C₄₈H₄₆CuN₁₀*H₂O
• 分子量: 931.326
• InChiKey: RCDJUYDCHPWOKN-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

• 作为产物：
  描述：

  copper(II) tetrafluroborate hexahydrate 、 4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine 、 水 、 铜 以 乙腈 为溶剂， 以72%的产率得到[Cu(4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine)2][BF4]*H2O
  参考文献：
  名称：

  Copper(II) and copper(I) tetrafluoroborate complexes with 4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine (L): Synthesis, structures and luminescence

  摘要：

  Copper(II) and copper(I) complexes, [(CuL2)-L-II(BF4)(2)]center dot 0.5H(2)O, [CuIL2](BF4)center dot 2MeCN and [CuIL2](BF4)center dot H2O, with 4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine (L) have been synthesized. The compound [(CuL2)-L-II(BF4)(2)]center dot 0.5H(2)O was obtained in the M:L = 1: 1 and 1: 2 molar ratios in EtOH solutions. It represents an example of a complex containing coordinated BF4 anion. The Cu-F(BF3) distances, 1.964(2) and 2.000(2) angstrom, are the shortest for copper tetrafluoroborate complexes. The compounds [(CuL2)-L-I](BF4)center dot 2MeCN and [(CuL2)-L-I](BF4)center dot H2O were obtained in the M:L = 1: 1 and 1: 2 molar ratios in MeCN solutions. According to X-ray data, the molecules of L in the structures of [(CuL2)-L-II(BF4)(2)]center dot 0.5H(2)O and [(CuL2)-L-I](BF4)center dot 2MeCN are coordinated to the copper atoms through N-2(pyrazole) and N-3(pyrimidine) atoms. The complex [(CuL2)-L-I](BF4)center dot 2MeCN is unstable in the ambient air and transforms into [(CuL2)-L-I(BF4)]center dot H2O. The complex [(CuL2)-L-I](BF4)center dot H2O was found to display orange photoluminescence. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.02.004