4-hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide
• 英文别名: 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-thieno[2,3-e]thiazine-3-carboxamide；2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-thieno[2,3-e]thiazine-3-carboxamide
• 化学式: C₁₃H₁₁N₃O₄S₂
• 分子量: 337.38
• InChiKey: OTGJPAOGHQFBMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide 、 DL-苯丙氨酸 以 乙醇 、 水 为溶剂， 生成 [Zn(Ten)(PhA)(H2O)2](Ac)
  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