3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-1Hindazol | 1185756-90-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-1Hindazol
• 英文别名: 3-(furan-2-yl)-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide
• CAS: 1185756-90-4
• 化学式: C₁₂H₁₅N₃OS
• 分子量: 249.337
• InChiKey: VWBIQNFSFHCRAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氨基硫脲 、 2-(furan-2-ylmethylene)cyclohexanone 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 15.0h， 以45%的产率得到3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-1Hindazol
  参考文献：
  名称：

  Regiodirected synthesis of hydroazolic compounds with the use of thiosemicarbazide

  摘要：

  Interaction of alpha,beta-unsaturated ketones of furan series with thiosemicarbazide under basic catalysis leads to 3-furyl-2-thiocarbamoylpyrazolines since nitrous nucleophilic centre of a reagent is activated, whereas the products of intermolecular cyclization of thiosemicarbazones under conditions of acid activation of sulfureous nucleophile are spirocyclic furylmethylene-1,3,4-thiadiazolines.

  DOI：

  10.1016/j.mencom.2009.01.021

文献信息

• Regiodirected synthesis of hydroazolic compounds with the use of thiosemicarbazide
  作者：Aleksandr A. Anis’kov、Anton A. Sazonov、Irina N. Klochkova

  DOI：10.1016/j.mencom.2009.01.021

  日期：2009.1

  Interaction of alpha,beta-unsaturated ketones of furan series with thiosemicarbazide under basic catalysis leads to 3-furyl-2-thiocarbamoylpyrazolines since nitrous nucleophilic centre of a reagent is activated, whereas the products of intermolecular cyclization of thiosemicarbazones under conditions of acid activation of sulfureous nucleophile are spirocyclic furylmethylene-1,3,4-thiadiazolines.