[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-furan-2-yl-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-amine | 350242-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: [1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-furan-2-yl-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-amine
• 英文别名: 1-(4-chlorophenyl)-N-[4-(furan-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]methanimine
• CAS: 350242-01-2
• 化学式: C₁₈H₁₃ClN₄O
• 分子量: 336.78
• InChiKey: XVAONLOJAOIKGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 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：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  巯基乙酸 、 [1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-furan-2-yl-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-amine 以 苯 为溶剂， 以76%的产率得到2-(4-Chloro-phenyl)-3-(4-furan-2-yl-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-thiazolidin-4-one
  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：

  ethyl 3-(4-chlorophenyl)-2-cyanoacrylate 、 4-(furan-2-yl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 [1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-furan-2-yl-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-amine
  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.