1-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenylthiourea | 131944-98-4

• 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: 1-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenylthiourea
• CAS: 131944-98-4
• 化学式: C₁₅H₁₅N₅S
• mdl: MFCD04052065
• 分子量: 297.384
• InChiKey: KEGHRSSYBXOYFC-UHFFFAOYSA-N

物化性质

• 溶解度：
  4.1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  97.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenylthiourea 、 氯乙酸乙酯 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以68%的产率得到3-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(phenylimino)thiazolidin-4-one
  参考文献：
  名称：

  The use of 3-amino-4,6-dimethylpyrazolo[3,4-b]pyridine in the synthesis of novel heterocycles of pharmaceutical interest

  摘要：

  3-Amino-4,6-dimethylpyrazolo[3,4-b]pyridine was used for the preparation of some novel heterocycles of pharmaceutical interest. The starting material reacted with 2-cyano-3,3-bis(methylthio)acrylate, chloroacetyl chloride, phenyl isothiocyanate, carbon disulfide, and aromatic aldehydes to give the novel heterocycles. The structures of the hitherto unknown ring systems have been confirmed by analytical and spectral methods.

  DOI：

  10.1007/s10593-008-0103-8
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 3-amino-4,6-dimethylpyrazolo[3,4-b]pyridine 以 吡啶 为溶剂， 反应 5.0h， 以75%的产率得到1-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenylthiourea
  参考文献：
  名称：

  The use of 3-amino-4,6-dimethylpyrazolo[3,4-b]pyridine in the synthesis of novel heterocycles of pharmaceutical interest

  摘要：

  3-Amino-4,6-dimethylpyrazolo[3,4-b]pyridine was used for the preparation of some novel heterocycles of pharmaceutical interest. The starting material reacted with 2-cyano-3,3-bis(methylthio)acrylate, chloroacetyl chloride, phenyl isothiocyanate, carbon disulfide, and aromatic aldehydes to give the novel heterocycles. The structures of the hitherto unknown ring systems have been confirmed by analytical and spectral methods.

  DOI：

  10.1007/s10593-008-0103-8

文献信息

• The use of 3-amino-4,6-dimethylpyrazolo[3,4-b]pyridine in the synthesis of novel heterocycles of pharmaceutical interest
  作者：M. A. Metwally、H. A. Etman、H. E. Gafer、A. M. Khalil

  DOI：10.1007/s10593-008-0103-8

  日期：2008.6

  3-Amino-4,6-dimethylpyrazolo[3,4-b]pyridine was used for the preparation of some novel heterocycles of pharmaceutical interest. The starting material reacted with 2-cyano-3,3-bis(methylthio)acrylate, chloroacetyl chloride, phenyl isothiocyanate, carbon disulfide, and aromatic aldehydes to give the novel heterocycles. The structures of the hitherto unknown ring systems have been confirmed by analytical and spectral methods.