2-(4,5-ditosyl-1,3-thiazol-2-yl)-3-(p-fluorophenyl)acrylonitrile | 1224885-76-0

• 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: 2-(4,5-ditosyl-1,3-thiazol-2-yl)-3-(p-fluorophenyl)acrylonitrile
• 英文别名: 2-[4,5-Bis-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile；2-[4,5-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile
• CAS: 1224885-76-0
• 化学式: C₂₆H₁₉FN₂O₄S₃
• 分子量: 538.644
• InChiKey: ANJWADYQZPMQTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  104.96
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-(4,5-ditosyl-1,3-thiazol-2-yl)triphenylphosphoranylideneacetonitrile 、 对氟苯甲醛 反应 10.0h， 以47%的产率得到2-(4,5-ditosyl-1,3-thiazol-2-yl)-3-(p-fluorophenyl)acrylonitrile
  参考文献：
  名称：

  Biphilic properties of substituted triphenylphosphoranylideneacetonitriles bearing 4,5-Di(arylsulfonyl)-1,3-thiazol-2-yl fragments at the ylide center

  摘要：

  Phosphonium ylides stabilized by nitrile and 4,5-di(arylsulfonyl)-1,3-thiazol-2-yl fragments show biphilic reactivity. They react with aromatic aldehydes upon heating revealing a noticeable activity of ylide center and are condensed with typical nucleophiles at C(4) center of the thiazole ring with the elimination of arylsulfanyl group tinder mild conditions. New 1,3-thiazole derivatives were obtained whose structures were proved by chemical, special and X-ray structural investigations.

  DOI：

  10.1134/s107036320907010x