[(CuCl(P(OC6H5)3))(pyridazine)] | 527678-80-4

• 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: [(CuCl(P(OC6H5)3))(pyridazine)]
• CAS: 527678-80-4
• 化学式: C₄H₄N₂*C₁₈H₁₅O₃P*Cl*Cu
• 分子量: 489.377
• InChiKey: WLSWFQUXZNQEKY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.47
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  哒嗪 、 亚磷酸三苯酯 、 copper(l) chloride 以 氯仿 、 乙腈 为溶剂， 以49%的产率得到[(CuCl(P(OC6H5)3))(pyridazine)]
  参考文献：
  名称：

  Pyrimidine, pyridazine, quinazoline, phthalazine, and triazine coordination polymers of copper(I) halides

  摘要：

  The coordination of diazine and triazine bridging ligands (B = pyrimidine (Pym), quinazoline (Qnz), pyridazine (Pdz), phthalazine (Ptz), and 1,3,5-triazine (Trz)) with CuX and CuXL (X = Cl, Br, 1; L = PPh3, P(OPh)(3)) has been investigated. Products without phosphorus(III) ligands include [CuXB] (B = Qnz, Pdz, Ptz), [(CuX)(2)B] (B = Pym, Qnz, Pdz, Ptz, Trz), [(CuX)(3)B-2] (B = Ptz, Trz), and [(CuX)(3)B] (B = Trz). Only CuX-Trz and CuI-Pdz afford more than one product stoichiometry. Products with phosphorus ligands are of the types [(CuXL)B] (B = Pdz, Ptz), [(CuXL)(2)B] (B = Pym, Qnz, Pdz, Ptz, Trz), and [(CuXL)(3)B] (B = Trz). Thermogravimetic analyses of the complexes typically show step-wise losses of B and L, ultimately yielding CuX. The X-ray crystal structure of [CuBr(Qnz)] features copper atoms bridged by Br and Qnz, forming 2D sheets of fused rectangular Cu4Br2(QnZ)(2) units. The X-ray structures of [(CuBr(PPh3))(2)B] (B = Pym, Trz) show I D chains formed from rhomboidal (CuL)(2)Br-2 units linked by the B ligand. The structure of [CuCl(PPh3)(Pdz)] is shown by X-ray to be a simple halide-bridged dimer. The X-ray structure of [(CuCl(P(OPh)(3)))(3)(Trz)] is a hexamer, having an oblate spheroid core. The core is composed of a Cu6Cl6 macrocycle capped with two Trz ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01372-4