catena-[Cu(2,4-dione-1,3,5-(1H)-triazin-1-amido)(H2O)Cl]n | 1325236-89-2

• 英文名称: catena-[Cu(2,4-dione-1,3,5-(1H)-triazin-1-amido)(H2O)Cl]n
• CAS: 1325236-89-2
• 化学式: C₆H₆ClCuN₅O₃
• 分子量: 295.144
• InChiKey: FSROZWHRSDGTAW-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  2,4,6-三(2-吡啶基)三嗪 、 copper dichloride 以 甲醇 为溶剂， 以40%的产率得到catena-[Cu(2,4-dione-1,3,5-(1H)-triazin-1-amido)(H2O)Cl]n
  参考文献：
  名称：

  Copper(II) assisted hydrolysis of 2,4,6-tris(pyrazol-1-yl)-1,3,5-triazine. Crystal and molecular structure of catena-[CuL(H2O)Cl]n (L=2,4-dione-1,3,5-(1H)-triazin-1-amido)

  摘要：

  This article describes the partial hydrolysis of the multidentate ligand 2,4,6-tris(pyrazol-1-yl)-1,3,5-triazine in the presence of copper(II), to give the anionic ligand 2,4-dione-1,3,5-(1H)-triazin-1-amido, which was isolated as the cupric complex catena-[CuL(H2O)Cl](n), where L is the amido ligand. No other hydrolysis products were isolated or identified.The complex defines a zigzag 1D covalent chain, along the b cell axis, through apical copper-oxygen bonds (Cu-N-C-O center dot center dot center dot Cu bridges). (C) 2011 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2011.03.031

文献信息

• Experimental and theoretical investigations of copper (I/II) complexes with triazine–pyrazole derivatives as ligands and their in situ C–N bond cleavage
  作者：Ji-Xiao Wang、Che Wang、Xuan Wang、Xin-Yu Wang、Yong-Heng Xing、Qiao Sun

  DOI：10.1016/j.saa.2015.01.118

  日期：2015.5

  Two copper complexes, cu(SCN)(Mpz*T-(EtO)(2)) (1) (Mpz*T-(EtO)(2) = L3) and CuCl(H2O)(Mpz*T-O-2) (2) (Mpz*T-O-2 = L4) were synthesized by the reaction of 2,4,6-tri(3,5-dimethylpyrazol-1-y1)-1,3,5-triazine (L1) or 2,4,6-tri(1H-pyrazol-1-yl)-1,3,5-triazine (L2) with CuCl2.2H(2)O in anhydrous ethanol and methanol, respectively. The complexes were characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, single crystal X-ray diffraction and X-ray powder diffraction. The structural characterizations and quantum mechanical calculations of the two complexes were analyzed in detail. It was found that an in site reaction occurred during the synthesis process of complexes 1 and 2, likely due to catalytic property of copper ions which leads to the C-N bond cleavage to generate new organic species, namely, Mpz*T-(EtO)(2) (L3) and Mpz*T-O-2 (IA). (C) 2015 Elsevier B.V. All rights reserved.