(2Z,5E)-1-methyl-2-[{3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene}methyl]pyridinium iodide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2Z,5E)-1-methyl-2-[{3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene}methyl]pyridinium iodide
• 英文别名: (2Z,5E)-3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;iodide
• 化学式: C₂₇H₂₄N₃OS₂*I
• 分子量: 597.544
• InChiKey: UNRRHLDMCJXBBQ-RWWUOWAYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (5E)-3-(4-methylphenyl)-5-(4-dimethyl-3-phenyl-1,3-thiazol-2-ylidene)-2-(methylthio)-4-oxo-1,3-thiazolium p-toluenesulfonate 、 碘化1,2-二甲基吡啶鎓 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以75%的产率得到(2Z,5E)-1-methyl-2-[{3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene}methyl]pyridinium iodide
  参考文献：
  名称：

  Synthesis of New Rhodacyanines Analogous to MKT‐077 under Microwave Irradiation

  摘要：

  We report here a synthesis of a new rhodacyanines 7X analogous to MKT-077 with quantitative yield using as starting material the thiazolinethione 1. Merocyanines 4 and their tosylates 5 have been prepared as intermediates for this class of compounds. The reactions leading to rhodacyanine 7X have been studied under microwave irradiation.

  DOI：

  10.1080/00397910701575400

文献信息

• Synthesis of New Rhodacyanines Analogous to MKT‐077 under Microwave Irradiation
  作者：Souad Kasmi‐Mir、Ayada Djafri、Jack Hamelin、Ludovic Paquin、Jean Pierre Bazureau、Mustapha Rahmouni

  DOI：10.1080/00397910701575400

  日期：2007.11

  We report here a synthesis of a new rhodacyanines 7X analogous to MKT-077 with quantitative yield using as starting material the thiazolinethione 1. Merocyanines 4 and their tosylates 5 have been prepared as intermediates for this class of compounds. The reactions leading to rhodacyanine 7X have been studied under microwave irradiation.