(5E)-3-(4-methylphenyl)-5-(4-dimethyl-3-phenyl-1,3-thiazol-2-ylidene)-2-(methylthio)-4-oxo-1,3-thiazolium p-toluenesulfonate

• 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: (5E)-3-(4-methylphenyl)-5-(4-dimethyl-3-phenyl-1,3-thiazol-2-ylidene)-2-(methylthio)-4-oxo-1,3-thiazolium p-toluenesulfonate
• 英文别名: 4-methylbenzenesulfonate;(5E)-3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one
• 化学式: C₇H₇O₃S*C₂₁H₁₉N₂OS₃
• 分子量: 582.789
• InChiKey: BBPFENOFQNEWFL-KPJFUTMLSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.81
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  165
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  (5E)-5-(4-methyl-3-phenylthiazol-2(3H)-ylidene)-2-thioxo-3-p-tolylthiazolidin-4-one 、 对甲苯磺酸甲酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以75%的产率得到(5E)-3-(4-methylphenyl)-5-(4-dimethyl-3-phenyl-1,3-thiazol-2-ylidene)-2-(methylthio)-4-oxo-1,3-thiazolium p-toluenesulfonate
  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.