2-(2-oxo-2H-chromen-4-yloxymethylcarbonyl)hydrazine-1-carbothioamide | 936739-53-6

• 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: 2-(2-oxo-2H-chromen-4-yloxymethylcarbonyl)hydrazine-1-carbothioamide
• CAS: 936739-53-6
• 化学式: C₁₂H₁₁N₃O₄S
• 分子量: 293.303
• InChiKey: JXOVIBLEKLEUOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  106.59
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(2-oxo-2H-chromen-4-yloxymethylcarbonyl)hydrazine-1-carbothioamide 在 硫酸 作用下， 反应 24.0h， 以81%的产率得到4-(5-sulfanyl-1H-1,2,4-triazol-3-ylmethoxy)-2H-chromen-2-one
  参考文献：
  名称：

  Syntheses on the basis of 2H-chromen-2-one and 2H-chromene-2-thione

  摘要：

  4-Hydroxy-2H-chromen-2-one and 4-hydroxy-2H-chromene-2-thione reacted with allyl bromide, 1,1,3-trichloroprop-l-ene, and 1,3-dichlorobut-2-ene to give the corresponding ethers, which were oxidized to (2-oxo-2H-chromen-4-yloxy)acetic acid with potassium permanganate, and various derivatives of that acid were obtained. 3-(3,3-Dichloroprop-2-enyl)-7-hydroxy-4-methyl-2H-chromen-2-one and 3-(3,3-dichloroprop2-enyl)-7-hydroxy-4-methyl-2H-chromene-2-thione were synthesized, and some their transformations were studied.

  DOI：

  10.1134/s1070428006070244
• 作为产物：
  描述：

  (2-oxo-2-H-chromen-4-yloxy)acetyl chloride 在 吡啶 作用下， 反应 2.0h， 生成 2-(2-oxo-2H-chromen-4-yloxymethylcarbonyl)hydrazine-1-carbothioamide
  参考文献：
  名称：

  Syntheses on the basis of 2H-chromen-2-one and 2H-chromene-2-thione

  摘要：

  4-Hydroxy-2H-chromen-2-one and 4-hydroxy-2H-chromene-2-thione reacted with allyl bromide, 1,1,3-trichloroprop-l-ene, and 1,3-dichlorobut-2-ene to give the corresponding ethers, which were oxidized to (2-oxo-2H-chromen-4-yloxy)acetic acid with potassium permanganate, and various derivatives of that acid were obtained. 3-(3,3-Dichloroprop-2-enyl)-7-hydroxy-4-methyl-2H-chromen-2-one and 3-(3,3-dichloroprop2-enyl)-7-hydroxy-4-methyl-2H-chromene-2-thione were synthesized, and some their transformations were studied.

  DOI：

  10.1134/s1070428006070244