5-anilino-1,2,4-thiadiazole-3-carboxamidoxime | 141540-09-2

• 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: 5-anilino-1,2,4-thiadiazole-3-carboxamidoxime
• 英文别名: 5-anilino-N'-hydroxy-1,2,4-thiadiazole-3-carboximidamide
• CAS: 141540-09-2
• 化学式: C₉H₉N₅OS
• 分子量: 235.269
• InChiKey: LLSNNNHGMMFZSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5-anilino-1,2,4-thiadiazole-3-carboxamidoxime 反应 1.0h， 以70%的产率得到5-(N-acetylanilino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-thiadiazole
  参考文献：
  名称：

  Synthesis of novel functionalized 1,2,4-thiadiazoles from 3,4-diaminofurazane and isothiocyanates

  摘要：

  The addition of isothiocyanates to borylated 3,4-diaminofurazane is accompanied by a rearrangement to form compounds of the 1,2,4-thiadiazole series. The derivatives of 3-(5-amino-1,2,4-thiadiazole)carboxamidoxime were prepared and it was suggested to use these reagents in heterocyclic syntheses with 1,2,4-oxadiazole or a second 1,2,4-thiadiazole ring closure.

  DOI：

  10.1007/bf00863931
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 3,4-二氨基呋扎 在 三丁基硼 作用下， 生成 5-anilino-1,2,4-thiadiazole-3-carboxamidoxime
  参考文献：
  名称：

  Synthesis of novel functionalized 1,2,4-thiadiazoles from 3,4-diaminofurazane and isothiocyanates

  摘要：

  The addition of isothiocyanates to borylated 3,4-diaminofurazane is accompanied by a rearrangement to form compounds of the 1,2,4-thiadiazole series. The derivatives of 3-(5-amino-1,2,4-thiadiazole)carboxamidoxime were prepared and it was suggested to use these reagents in heterocyclic syntheses with 1,2,4-oxadiazole or a second 1,2,4-thiadiazole ring closure.

  DOI：

  10.1007/bf00863931