(5E)-5-(3,4-dimethylthiazol-2(3H)-ylidene)-2-thioxo-3-p-tolylthiazolidin-4-one

• 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)-5-(3,4-dimethylthiazol-2(3H)-ylidene)-2-thioxo-3-p-tolylthiazolidin-4-one
• 英文别名: (5E)-5-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₅H₁₄N₂OS₃
• 分子量: 334.487
• InChiKey: VXDBMKGUMXNUMU-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (5E)-5-(3,4-dimethylthiazol-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92%的产率得到(5E)-3-(4-methylphenyl)-5-(3,4-dimethyl-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
• 作为产物：
  描述：

  3-(4-甲基苯基)-2-硫酮-1,3-噻唑啉-4-酮 、 3,4-dimethyl-2-(methylthio)-1,3-thiazol-3-ium iodide 在 三乙胺 作用下， 反应 0.17h， 以85%的产率得到(5E)-5-(3,4-dimethylthiazol-2(3H)-ylidene)-2-thioxo-3-p-tolylthiazolidin-4-one
  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.