2-{2-[N'-(1-phenylethylidene)hydrazino]-6H-[1,3,4]thiadiazin-5-yl}benzo[f]chromen-3-one | 1364661-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2-{2-[N'-(1-phenylethylidene)hydrazino]-6H-[1,3,4]thiadiazin-5-yl}benzo[f]chromen-3-one
• CAS: 1364661-95-9
• 化学式: C₂₄H₁₈N₄O₂S
• 分子量: 426.499
• InChiKey: REKHEGZFSLAUNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  79.32
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-(2-bromoacetyl)-3H-benzo[f]chromen-3-one 、 硫代卡巴肼 、 苯乙酮 反应 1.5h， 以71%的产率得到2-{2-[N'-(1-phenylethylidene)hydrazino]-6H-[1,3,4]thiadiazin-5-yl}benzo[f]chromen-3-one
  参考文献：
  名称：

  One-Pot Synthesis of 1,3,4-Thiadiazin-5-yl-chromen-2-one Derivatives via Three-Component Reaction

  摘要：

  An expeditious, one-pot reaction has been described for the preparation of 1,3,4-thiadiazin-5-yl-chromen-2-one derivatives. These compounds were synthesized by the reaction of 3-(2-bromoacetyl) coumarin with thiocarbohydrazide and various carbonyl compounds. The newly synthesized compounds were characterized by infrared, H-1 NMR, and mass spectra.

  DOI：

  10.1080/00397911.2010.540697