4,6-bis(methylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine | 153901-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4,6-bis(methylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine
• 英文别名: 2-(2,2-Diethoxyethyl)-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine；2-(2,2-diethoxyethyl)-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine
• CAS: 153901-67-8
• 化学式: C₁₃H₂₀N₄O₂S₂
• 分子量: 328.459
• InChiKey: MHFPIXVDDWRTRE-UHFFFAOYSA-N

物化性质

• 沸点：
  518.5±60.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,6-bis(methylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine 在 potassium permanganate 、 氨 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 27.0h， 生成 4-amino-2-(2',2'-diethoxyethyl)-6-methoxy-2H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity

  摘要：

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.

  DOI：

  10.1016/0223-5234(93)90089-w
• 作为产物：
  描述：

  4,6-双(甲基硫代)-1H-吡唑并[3,4-d]嘧啶 、 氯乙醛缩二乙醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以31%的产率得到4,6-bis(methylthio)-1-(2',2'-diethoxyethyl)-1H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity

  摘要：

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.

  DOI：

  10.1016/0223-5234(93)90089-w

文献信息

• Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity
  作者：K Avasthi、N Garg、T Chandra、DS Bhakuni、PP Gupta、RC Srimal

  DOI：10.1016/0223-5234(93)90089-w

  日期：1993.1

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.