| 943307-96-8

• CAS: 943307-96-8
• 化学式: CH₂Cl₂*C₂₃H₁₈Cl₂N₄Pd
• 分子量: 612.682
• InChiKey: GXXZVFABPBHNRM-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

• 作为反应物：
  描述：

  甲醇 、 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Kinetic studies on the reversible ring opening–closure reaction of the triazine ligand and structural properties of palladium(II) complexes

  摘要：

  A Pd(II) complex containing didentate triazine ligand L-1 (2-(2-methylphenyl)-3-(2-pyridyl)-2,3-dihydronaphtho[2,1-e][1,2,4]triazine) [PdCl2(L-1)] (1) was prepared, and the structure was determined by X-ray crystallography. The absorption spectrum of complex 1 in dichloromethane changed gradually with isosbestic points when methanol was added to the solution, and [PdCl(L-2)], (2) (L-2 = N-[methoxy(2-pyridyl)methyl]-1-(2-methylphenylazo)-2-naphthylamide) was obtained from the resulting solution after the reaction was completed. Addition of hydrogen chloride to the solution of complex 2 led to the recovery of complex 1. Thus, a reversible ring opening and closure reaction of the triazine ligand was observed. The progress of the ring opening reaction was monitored by observing the absorbance changes at several wavelengths of the visible spectra as a function of the concentration of methanol. The absorbance plots were fitted successfully with a mechanism that includes the consumption of two methanol molecules and the release of HCl, whose concentration is equivalent to that of the produced Pd complex ([PdCl2(L-1)] + 2CH(3)OH reversible arrow [PdCl(L-2)] + CH3OH2+ center dot Cl-). In dichloromethane with a low dielectric constant, the polar HCl molecule will be stabilized by forming an adduct with methanol. The equilibrium constant was determined as K = [PdCl(L-2)] [CH3OH2+ center dot Cl-][PdCl2(L-1)](-1)[CH3OH](-2) = (2.2 +/- 0.4) x 10(-4) M-1 at T=25.0 degrees C, The kinetics of the reaction of [PdCl2(L-1)] with methanol was investigated by monitoring the absorbance change of the reacting solution with time. We obtained rate constant values of k(1) = (2.40 +/- 0.07) x 10(-2) s(-1) and k(2) = (5.8 +/- 0.1) x 10(-3) M-1 s(-1) at T = 25.0 degrees C on the observed pseudo-first-order rate constant of the forward reaction, k(f) = k(1) + k(2) [CH3OH]. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.03.024
• 作为产物：
  描述：

  吡啶-2-甲醛 、 二(氰基苯)二氯化钯 、 二氯甲烷 、 1-tolueneazo-2-naphthylamine 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Kinetic studies on the reversible ring opening–closure reaction of the triazine ligand and structural properties of palladium(II) complexes

  摘要：

  A Pd(II) complex containing didentate triazine ligand L-1 (2-(2-methylphenyl)-3-(2-pyridyl)-2,3-dihydronaphtho[2,1-e][1,2,4]triazine) [PdCl2(L-1)] (1) was prepared, and the structure was determined by X-ray crystallography. The absorption spectrum of complex 1 in dichloromethane changed gradually with isosbestic points when methanol was added to the solution, and [PdCl(L-2)], (2) (L-2 = N-[methoxy(2-pyridyl)methyl]-1-(2-methylphenylazo)-2-naphthylamide) was obtained from the resulting solution after the reaction was completed. Addition of hydrogen chloride to the solution of complex 2 led to the recovery of complex 1. Thus, a reversible ring opening and closure reaction of the triazine ligand was observed. The progress of the ring opening reaction was monitored by observing the absorbance changes at several wavelengths of the visible spectra as a function of the concentration of methanol. The absorbance plots were fitted successfully with a mechanism that includes the consumption of two methanol molecules and the release of HCl, whose concentration is equivalent to that of the produced Pd complex ([PdCl2(L-1)] + 2CH(3)OH reversible arrow [PdCl(L-2)] + CH3OH2+ center dot Cl-). In dichloromethane with a low dielectric constant, the polar HCl molecule will be stabilized by forming an adduct with methanol. The equilibrium constant was determined as K = [PdCl(L-2)] [CH3OH2+ center dot Cl-][PdCl2(L-1)](-1)[CH3OH](-2) = (2.2 +/- 0.4) x 10(-4) M-1 at T=25.0 degrees C, The kinetics of the reaction of [PdCl2(L-1)] with methanol was investigated by monitoring the absorbance change of the reacting solution with time. We obtained rate constant values of k(1) = (2.40 +/- 0.07) x 10(-2) s(-1) and k(2) = (5.8 +/- 0.1) x 10(-3) M-1 s(-1) at T = 25.0 degrees C on the observed pseudo-first-order rate constant of the forward reaction, k(f) = k(1) + k(2) [CH3OH]. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.03.024