3-acetyl-2,5-dimethylthiophene semicarbazone | 98960-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-acetyl-2,5-dimethylthiophene semicarbazone
• 英文别名: [1-(2,5-dimethylthiophen-3-yl)ethylideneamino]urea
• CAS: 98960-92-0
• 化学式: C₉H₁₃N₃OS
• 分子量: 211.288
• InChiKey: PZKJJQUBICKOFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  67.48
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-acetyl-2,5-dimethylthiophene semicarbazone 、 palladium dichloride 在 ammonium hydroxide 作用下， 以 甲醇 、 ammonium hydroxide 为溶剂， 以86%的产率得到[Pd(3-acetyl-2,5-dimethylthiophene semicarbazone(-H))2]
  参考文献：
  名称：

  Microwave assisted synthesis, characterization and biological evaluation of palladium and platinum complexes with azomethines

  摘要：

  Reactions of 3-acetyl-2,5-dimethylthiophene with thiosemicarbazide and semicarbazide hydrochloride resulted in the formation of new heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone (C9H13N3OS2 or (LH)-H-1) and 3-acetyl-2,5-dimethylthiophene semicarbazone (C9H13N3OS or (LH)-H-2), respectively. The Pd(II) and Pt(II) complexes have been synthesized by mixing metal salts in 1:2 molar ratios with these ligands by using microwave as well as conventional heating method for comparison purposes. The authenticity of these ligands and their complexes has been established on the basis of elemental analysis, melting point determinations, molecular weight determinations. IR, H-1 NMR and UV spectral Studies. These studies showed that the ligands coordinate to the metal atom in a monobasic bidentate manner and square planar environment around the metal atoms has been proposed to the complexes. Both the ligands and their complexes have been screened for their antimicrobial activities. The antiamoebic activity of both the ligands and their palladium compounds against the protozoan Parasite Entamoeba histolytica has been tested. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.10.052
• 作为产物：
  描述：

  2,5-二甲基-3-乙酰基噻吩 、 盐酸氨基脲 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 0.08h， 以90%的产率得到3-acetyl-2,5-dimethylthiophene semicarbazone
  参考文献：
  名称：

  Microwave assisted synthesis, characterization and biological evaluation of palladium and platinum complexes with azomethines

  摘要：

  Reactions of 3-acetyl-2,5-dimethylthiophene with thiosemicarbazide and semicarbazide hydrochloride resulted in the formation of new heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone (C9H13N3OS2 or (LH)-H-1) and 3-acetyl-2,5-dimethylthiophene semicarbazone (C9H13N3OS or (LH)-H-2), respectively. The Pd(II) and Pt(II) complexes have been synthesized by mixing metal salts in 1:2 molar ratios with these ligands by using microwave as well as conventional heating method for comparison purposes. The authenticity of these ligands and their complexes has been established on the basis of elemental analysis, melting point determinations, molecular weight determinations. IR, H-1 NMR and UV spectral Studies. These studies showed that the ligands coordinate to the metal atom in a monobasic bidentate manner and square planar environment around the metal atoms has been proposed to the complexes. Both the ligands and their complexes have been screened for their antimicrobial activities. The antiamoebic activity of both the ligands and their palladium compounds against the protozoan Parasite Entamoeba histolytica has been tested. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.10.052