4-(2'-furyl)-6-methylpyrazolo[3,4-b]pyridin-3-ylphenylthiourea | 350241-97-3

• 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: 4-(2'-furyl)-6-methylpyrazolo[3,4-b]pyridin-3-ylphenylthiourea
• 英文别名: 1-[4-(furan-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]-3-phenylthiourea
• CAS: 350241-97-3
• 化学式: C₁₈H₁₅N₅OS
• 分子量: 349.416
• InChiKey: AFPFEZFHKJCKJI-UHFFFAOYSA-N

物化性质

• 沸点：
  563.3±60.0 °C(predicted)
• 密度：
  1.450±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氯-2,4-戊二酮 、 4-(2'-furyl)-6-methylpyrazolo[3,4-b]pyridin-3-ylphenylthiourea 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以77%的产率得到
  参考文献：
  名称：

  Synthesis of Thiazole, Triazole, Pyrazolo[3,4-b]-Pyridinyl-3-Phenylthiourea, Aminopyrazolo[3,4-b]Pyridine Derivatives and Their Biological Evaluation

  摘要：

  The pyrazolopyridine derivatives la,b reacted with phenylisothiocyanate (2), nitrous acid and cinnamonitrile. derivatives 5a,b to afford the corresponded pyrazolo[3,4-b]-pyridinyl-3-phenylthiourea derivatives 3a,b, 3-diazotized aminopyrazolo[3,4-b]-pyridine derivatives 4a,b and Schiff bases 7a-d in a respective manner Compounds 3a,b, Jab and 7a-d were taken as the starting materials for the present study owing to the presence of more than one active site. Compounds 3a,b reacted with the halogen-containing reagents e.g. 11a,b, 13 and 15 to Five the corresponded thiazole derivatives 12a-d, 14a,b and 16a,b respectively. Compounds Ja,b coupled with the active hydrogen-containing reagents 17a-j to afford the corresponding 3-hydrazino derivatives 18a-t which could be cyclized to give the corresponding triazines 19a-t respectively. Compounds 7a-d reacted with thioglycolic acid (9) to give the corresponding thiazole derivative 10a-d in a good yield. The assigned structures of the newly synthesized compounds are based on their elemental analyses, IR, H-1 NMR and mass spectra. The biological activity of some of thee compounds was tested.

  DOI：

  10.1080/10426500008082396
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 4-(furan-2-yl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine 在 吡啶 作用下， 反应 2.0h， 以87%的产率得到4-(2'-furyl)-6-methylpyrazolo[3,4-b]pyridin-3-ylphenylthiourea
  参考文献：
  名称：

  Synthesis of Thiazole, Triazole, Pyrazolo[3,4-b]-Pyridinyl-3-Phenylthiourea, Aminopyrazolo[3,4-b]Pyridine Derivatives and Their Biological Evaluation

  摘要：

  The pyrazolopyridine derivatives la,b reacted with phenylisothiocyanate (2), nitrous acid and cinnamonitrile. derivatives 5a,b to afford the corresponded pyrazolo[3,4-b]-pyridinyl-3-phenylthiourea derivatives 3a,b, 3-diazotized aminopyrazolo[3,4-b]-pyridine derivatives 4a,b and Schiff bases 7a-d in a respective manner Compounds 3a,b, Jab and 7a-d were taken as the starting materials for the present study owing to the presence of more than one active site. Compounds 3a,b reacted with the halogen-containing reagents e.g. 11a,b, 13 and 15 to Five the corresponded thiazole derivatives 12a-d, 14a,b and 16a,b respectively. Compounds Ja,b coupled with the active hydrogen-containing reagents 17a-j to afford the corresponding 3-hydrazino derivatives 18a-t which could be cyclized to give the corresponding triazines 19a-t respectively. Compounds 7a-d reacted with thioglycolic acid (9) to give the corresponding thiazole derivative 10a-d in a good yield. The assigned structures of the newly synthesized compounds are based on their elemental analyses, IR, H-1 NMR and mass spectra. The biological activity of some of thee compounds was tested.

  DOI：

  10.1080/10426500008082396

文献信息

• Synthesis of Thiazole, Triazole, Pyrazolo[3,4-b]-Pyridinyl-3-Phenylthiourea, Aminopyrazolo[3,4-b]Pyridine Derivatives and Their Biological Evaluation
  作者：Mohamed A.A. Elneairy、Fawzy A. Attaby、Mohamed S. Elsayed

  DOI：10.1080/10426500008082396

  日期：2000.1.1

  The pyrazolopyridine derivatives la,b reacted with phenylisothiocyanate (2), nitrous acid and cinnamonitrile. derivatives 5a,b to afford the corresponded pyrazolo[3,4-b]-pyridinyl-3-phenylthiourea derivatives 3a,b, 3-diazotized aminopyrazolo[3,4-b]-pyridine derivatives 4a,b and Schiff bases 7a-d in a respective manner Compounds 3a,b, Jab and 7a-d were taken as the starting materials for the present study owing to the presence of more than one active site. Compounds 3a,b reacted with the halogen-containing reagents e.g. 11a,b, 13 and 15 to Five the corresponded thiazole derivatives 12a-d, 14a,b and 16a,b respectively. Compounds Ja,b coupled with the active hydrogen-containing reagents 17a-j to afford the corresponding 3-hydrazino derivatives 18a-t which could be cyclized to give the corresponding triazines 19a-t respectively. Compounds 7a-d reacted with thioglycolic acid (9) to give the corresponding thiazole derivative 10a-d in a good yield. The assigned structures of the newly synthesized compounds are based on their elemental analyses, IR, H-1 NMR and mass spectra. The biological activity of some of thee compounds was tested.