3-(2-(1H-tetrazol-5-yl)ethyl)-2-(4-fluorophenyl)thiazolidin-4-one | 1158972-22-5

• 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: 3-(2-(1H-tetrazol-5-yl)ethyl)-2-(4-fluorophenyl)thiazolidin-4-one
• 英文别名: 2-(4-fluorophenyl)-3-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazolidin-4-one
• CAS: 1158972-22-5
• 化学式: C₁₂H₁₂FN₅OS
• 分子量: 293.325
• InChiKey: VBEDILGQMURWIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-(1H-tetrazol-5-yl)ethyl)-2-(4-fluorophenyl)thiazolidin-4-one 、 溴乙酸乙酯 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以73%的产率得到ethyl 2-(5-(2-(2-(4-fluorophenyl)-4-oxothiazolidin-3-yl)ethyl)-1H-tetrazol-1-yl)acetate
  参考文献：
  名称：

  Synthesis and antioxidant activity of some thiazolidin-4-one derivatives

  摘要：

  4-Fluorobenzaldehyde was used for the preparation of 2-(4-fluorophenyl) thiazolidin-4-one derivatives which were allowed to react with chloroacetonitrile and acrylonitrile to produce 3-(2-(4-fluorophenyl)-4-oxothiazolidine3-yl) acetonitrile and 3-(2-(4-fluorophenyl)-4-oxothiazoledine-3-yl) propanenitrile. Biological evaluation of some of the compounds showed that many had promising antioxidant activity.

  DOI：

  10.1007/s00706-008-0085-3
• 作为产物：
  描述：

  3-(2-(4-fluorophenyl)-4-oxothiazolidin-3-yl)propanenitrile 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以75%的产率得到3-(2-(1H-tetrazol-5-yl)ethyl)-2-(4-fluorophenyl)thiazolidin-4-one
  参考文献：
  名称：

  Synthesis and antioxidant activity of some thiazolidin-4-one derivatives

  摘要：

  4-Fluorobenzaldehyde was used for the preparation of 2-(4-fluorophenyl) thiazolidin-4-one derivatives which were allowed to react with chloroacetonitrile and acrylonitrile to produce 3-(2-(4-fluorophenyl)-4-oxothiazolidine3-yl) acetonitrile and 3-(2-(4-fluorophenyl)-4-oxothiazoledine-3-yl) propanenitrile. Biological evaluation of some of the compounds showed that many had promising antioxidant activity.

  DOI：

  10.1007/s00706-008-0085-3

文献信息

• Synthesis and antioxidant activity of some thiazolidin-4-one derivatives
  作者：Ahmed O. H. El Nezhawy、Mostafa M. Ramla、Nagy M. Khalifa、Mohamed M. Abdulla

  DOI：10.1007/s00706-008-0085-3

  日期：2009.5

  4-Fluorobenzaldehyde was used for the preparation of 2-(4-fluorophenyl) thiazolidin-4-one derivatives which were allowed to react with chloroacetonitrile and acrylonitrile to produce 3-(2-(4-fluorophenyl)-4-oxothiazolidine3-yl) acetonitrile and 3-(2-(4-fluorophenyl)-4-oxothiazoledine-3-yl) propanenitrile. Biological evaluation of some of the compounds showed that many had promising antioxidant activity.