6,8-dibromo-3-[2-(N'-isopropylidenehydrazino)-6H-[1,3,4]thiadiazin-5-yl]chromen-2-one | 1364661-99-3

• 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: 6,8-dibromo-3-[2-(N'-isopropylidenehydrazino)-6H-[1,3,4]thiadiazin-5-yl]chromen-2-one
• 英文别名: 6,8-Dibromo-3-[2-(propan-2-ylidenehydrazinylidene)-3,6-dihydro-1,3,4-thiadiazin-5-yl]chromen-2-one；6,8-dibromo-3-[2-(propan-2-ylidenehydrazinylidene)-3,6-dihydro-1,3,4-thiadiazin-5-yl]chromen-2-one
• CAS: 1364661-99-3
• 化学式: C₁₅H₁₂Br₂N₄O₂S
• 分子量: 472.16
• InChiKey: UJKDJBISNMFHTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6,8-二溴-3-(2-溴乙酰基)香豆素 、 硫代卡巴肼 、 丙酮 反应 1.5h， 以77%的产率得到6,8-dibromo-3-[2-(N'-isopropylidenehydrazino)-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

文献信息

• One-Pot Synthesis of 1,3,4-Thiadiazin-5-yl-chromen-2-one Derivatives via Three-Component Reaction
  作者：Venkata Sreenivasa Rao Chunduru、Rajeswar Rao Vedula

  DOI：10.1080/00397911.2010.540697

  日期：2012.5.15

  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.