[Cu(I)(Q(CF3,py))(PPh3)2] | 875546-77-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Cu(I)(Q(CF3,py))(PPh3)2]
• 英文别名: [Cu(I)(1-(2-pyridyl)-3-methyl-4-trifluoromethylpyrazol-5-one-1H)(PPh3)2]
• CAS: 875546-77-3
• 化学式: C₄₇H₃₇CuF₃N₃O₂P₂
• 分子量: 858.318
• InChiKey: MFZQTJMSDBUTBU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  zinc(II) tetrafluoroborate hexahydrate 、 [Cu(I)(Q(CF3,py))(PPh3)2] 以 乙腈 为溶剂， 以85%的产率得到[Zn(Cu(I)(Q(CF3,py))(PPh3)2)3](BF4)2*2H2O
  参考文献：
  名称：

  Copper(I) monophosphine complexes with functionalized acylpyrazolonate ligands: Syntheses of heterobimetallic Cu–Zn and Cu–Ru adducts

  摘要：

  Copper(I) acylpyrazolonate derivatives of formula [Cu(Q)(PPh3)(2)] (HQ = HQ(C2F5) = 1-phenyl-3-methyl4-pentafluoropropanoyl-pyrazol-5-one, HQ(CF3,CF3) = 1-(4-trifluoromethyl)phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one, HQ(naph) = 1-phenyl-3-methyl-4-(1-naphthoyl)pyrazol-5-one, HQ(fur) = 1-phenyl-3-methyl-4-furylpyrazol-5-one, HQ(thi) = 1-phenyl-3-methyl-4-thienoylpyrazol-5-one, HQ(CF3,py) = 1-(2-pyridyl)-3-methyl-4-trifluoromethylpyrazol-5-one) have been synthesized and characterized, both in the solid state and in solution. The isomorphous crystal structures of [Cu(Q(fur))(PPh3)(2)] and [Cu(Q(thi))(PPh3)(2)] and of [CU(Q(C2F5))(PPh3)(2)] show their copper atoms in distorted tetrahedral environments. Apart from the derivative [Cu(Q(naph))(PPh3)(2)] they are fluxional in chloroform solution, dissociating partially to the [Cu(Q)(PR3)] fragment and free PR3, or existing in solution as [Cu(O-2-Q)(PR3)(2)] or [Cu(O-Q)(PR3)(2)] species, with CuO2P2 or CuOP2, metal environments, in equilibrium with each other. By contrast, in [Cu(Q(CF3,py))(PPh3)(2)] the Q(CF3.py) ligand is coordinated to copper through the nitrogen atoms of the pyrazole and pyridine rings. The latter compound reacts with Zn(BF4)(2)center dot xH(2)O and [Ru(p-cymene)Cl-2](2) affording ionic heterobimetallic adducts. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.07.020
• 作为产物：
  描述：

  bis(triphenylphosphane)copper(I) nitrate 、 1-(2-pyridyl)-3-methyl-4-trifluoromethylpyrazol-5-one 在 NaOCH₃ 作用下， 以 甲醇 、 乙腈 为溶剂， 以67%的产率得到[Cu(I)(Q(CF3,py))(PPh3)2]
  参考文献：
  名称：

  Copper(I) monophosphine complexes with functionalized acylpyrazolonate ligands: Syntheses of heterobimetallic Cu–Zn and Cu–Ru adducts

  摘要：

  Copper(I) acylpyrazolonate derivatives of formula [Cu(Q)(PPh3)(2)] (HQ = HQ(C2F5) = 1-phenyl-3-methyl4-pentafluoropropanoyl-pyrazol-5-one, HQ(CF3,CF3) = 1-(4-trifluoromethyl)phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one, HQ(naph) = 1-phenyl-3-methyl-4-(1-naphthoyl)pyrazol-5-one, HQ(fur) = 1-phenyl-3-methyl-4-furylpyrazol-5-one, HQ(thi) = 1-phenyl-3-methyl-4-thienoylpyrazol-5-one, HQ(CF3,py) = 1-(2-pyridyl)-3-methyl-4-trifluoromethylpyrazol-5-one) have been synthesized and characterized, both in the solid state and in solution. The isomorphous crystal structures of [Cu(Q(fur))(PPh3)(2)] and [Cu(Q(thi))(PPh3)(2)] and of [CU(Q(C2F5))(PPh3)(2)] show their copper atoms in distorted tetrahedral environments. Apart from the derivative [Cu(Q(naph))(PPh3)(2)] they are fluxional in chloroform solution, dissociating partially to the [Cu(Q)(PR3)] fragment and free PR3, or existing in solution as [Cu(O-2-Q)(PR3)(2)] or [Cu(O-Q)(PR3)(2)] species, with CuO2P2 or CuOP2, metal environments, in equilibrium with each other. By contrast, in [Cu(Q(CF3,py))(PPh3)(2)] the Q(CF3.py) ligand is coordinated to copper through the nitrogen atoms of the pyrazole and pyridine rings. The latter compound reacts with Zn(BF4)(2)center dot xH(2)O and [Ru(p-cymene)Cl-2](2) affording ionic heterobimetallic adducts. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.07.020