3-(2-hydrazino-6H-[1,3,4]-thiadiazin-5-yl)chromen-2-one | 1364662-11-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(2-hydrazino-6H-[1,3,4]-thiadiazin-5-yl)chromen-2-one
• 英文别名: 3-(2-Hydrazinylidene-3,6-dihydro-1,3,4-thiadiazin-5-yl)chromen-2-one
• CAS: 1364662-11-2
• 化学式: C₁₂H₁₀N₄O₂S
• 分子量: 274.303
• InChiKey: PPRLBKQANGRBOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-hydrazino-6H-[1,3,4]-thiadiazin-5-yl)chromen-2-one 、 水杨醛 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 3-{2-[N'-(2-hydroxybenzylidene)-hydrazino]-6H-[1,3,4]thiadiazin-5-yl}chromen-2-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
• 作为产物：
  描述：

  3-(溴乙酰基)香豆素 、 硫代卡巴肼 以 乙醇 为溶剂， 反应 1.0h， 以70%的产率得到3-(2-hydrazino-6H-[1,3,4]-thiadiazin-5-yl)chromen-2-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