[Cu(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide)(DL-phenylalanine)](acetate)*H2O | 797790-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: [Cu(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide)(DL-phenylalanine)](acetate)*H2O
• 英文别名: [Cu(Pir)(PhA)](Ac)*H2O；[Cu(II)(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide)(DL-phenylalaninate)](acetate)*H2O
• CAS: 797790-86-4
• 化学式: C₂H₃O₂*C₂₄H₂₃CuN₄O₆S*H₂O
• 分子量: 636.142
• InChiKey: NGUAVYNEXCSLIG-KXIXAYKLSA-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：

  [Cu(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide)(DL-phenylalanine)](acetate)*H2O 以 neat (no solvent) 为溶剂， 生成 [Cu(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide)(DL-phenylalanine)](acetate)
  参考文献：
  名称：

  Synthesis and thermal characterization of new ternary chelates of piroxicam and tenoxicam with glycine and dl-phenylalanine and some transition metals

  摘要：

  The ternary chelates of piroxicam (Pir) and tenoxicam (Ten) with Fe(II), Fe(Ill), Co(II), Ni(II), Cu(H) and Zn(II) in the presence of various amino acids such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized with different physicochemical methods. IR spectra confirm that Pir and Ten behave as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its deprotonated carboxylic group. In addition, PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its deprotonated carboxylic and amino groups. The solid reflectance spectra and magnetic moment measurements confirm that all the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. Thermal behaviour of the complexes is extensively studied using TG and DTA techniques. TG results show that water molecules (hydrated and coordinated) and anions are removed in the first and second steps while Gly, PhA, Pir and Ten are decomposed in the next and subsequent steps. The pyrolyses of the chelates into different gases are observed in the DTA curves as exo- or endothermic peaks. Also, phase transition states are observed in some chelates. Different thermodynamic parameters are calculated using Coats-Redfern method and the results are interpreted. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2005.06.042
• 作为产物：
  描述：

  DL-苯丙氨酸 、 copper diacetate 、 吡罗昔康 以 乙醇 、 水 为溶剂， 生成 [Cu(4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide)(DL-phenylalanine)](acetate)*H2O
  参考文献：
  名称：

  Synthesis and thermal characterization of new ternary chelates of piroxicam and tenoxicam with glycine and dl-phenylalanine and some transition metals

  摘要：

  The ternary chelates of piroxicam (Pir) and tenoxicam (Ten) with Fe(II), Fe(Ill), Co(II), Ni(II), Cu(H) and Zn(II) in the presence of various amino acids such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized with different physicochemical methods. IR spectra confirm that Pir and Ten behave as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its deprotonated carboxylic group. In addition, PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its deprotonated carboxylic and amino groups. The solid reflectance spectra and magnetic moment measurements confirm that all the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. Thermal behaviour of the complexes is extensively studied using TG and DTA techniques. TG results show that water molecules (hydrated and coordinated) and anions are removed in the first and second steps while Gly, PhA, Pir and Ten are decomposed in the next and subsequent steps. The pyrolyses of the chelates into different gases are observed in the DTA curves as exo- or endothermic peaks. Also, phase transition states are observed in some chelates. Different thermodynamic parameters are calculated using Coats-Redfern method and the results are interpreted. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2005.06.042

文献信息

• Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and dl-phenylalanine
  作者：Gehad G. Mohamed、Nadia E.A. El-Gamel

  DOI：10.1016/j.saa.2004.01.035

  日期：2004.11

  carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA chelates were 1:1 electrolytes. X-ray powder diffraction is used as a new tool

  Fe（II），Fe（III）的三元吡罗昔康（Pir; 4-羟基-2-甲基-N-（2-吡啶基）-2H-1,2-苯并噻嗪-3-羧酰胺1,1-二氧化物）配合物，Co（II），Ni（II），Cu（II）和Zn（II）以及各种氨基酸（AA）的甘氨酸（Gly）或DL-苯丙氨酸（PhA）的制备，并通过元素分析，摩尔电导进行表征，IR，UV-Vis，磁矩，漫反射率和X射线粉末衍射。详细讨论了Pir的UV-Vis光谱以及金属螯合对不同配体过渡的影响。IR和UV-Vis光谱证实，Pir表现为通过酰胺部分的吡啶-N和羰基与金属离子配位的中性二齿配体。Gly分子充当单负配体，并通过其羧基与金属离子配位，此外，PhA用作单负二齿配体，并通过其羧基和氨基与金属离子配位。所有的螯合物都具有八面体的几何结构，而具有PhA的Cu（II）-和Zn（II）-三元螯合物具有方形的平面几何结构。摩尔电导数据显示，大多数这些螯合物都