3-(4-Fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(4-Fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
• 化学式: C₁₆H₁₄FNOS₂
• 分子量: 319.424
• InChiKey: HCZWDTTYUWSAEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-Fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one 在 双氧水 、 tungsten(VI) oxide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以65%的产率得到3-(4-fluorophenyl)-2-(4-methanesulfonylphenyl)thiazolidine-4-one
  参考文献：
  名称：

  Synthesis of 2,3-diaryl-1,3-thiazolidine-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors

  摘要：

  A group of 2,3-diaryl-1,3-thiazolidine-4-ones, possessing a methylsulfonyl pharmacophore, were synthesized and their biological activities were evaluated for cyclooxygenase-2 (COX-2) inhibitory activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.084
• 作为产物：
  描述：

  巯基乙酸 、 4-(甲基巯基)苯甲醛 、 4-氟苯胺 以 甲苯 为溶剂， 反应 48.0h， 以35%的产率得到3-(4-Fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis of 2,3-diaryl-1,3-thiazolidine-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors

  摘要：

  A group of 2,3-diaryl-1,3-thiazolidine-4-ones, possessing a methylsulfonyl pharmacophore, were synthesized and their biological activities were evaluated for cyclooxygenase-2 (COX-2) inhibitory activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.084

文献信息

• Synthesis of 2,3-diaryl-1,3-thiazolidine-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors
  作者：Afshin Zarghi、Leila Najafnia、Bahram Daraee、Orkideh G. Dadrass、Mehdi Hedayati

  DOI：10.1016/j.bmcl.2007.07.084

  日期：2007.10

  A group of 2,3-diaryl-1,3-thiazolidine-4-ones, possessing a methylsulfonyl pharmacophore, were synthesized and their biological activities were evaluated for cyclooxygenase-2 (COX-2) inhibitory activity. (c) 2007 Elsevier Ltd. All rights reserved.