| 214914-46-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 214914-46-2
• 化学式: C₂₆H₁₉N₇S
• 分子量: 461.55
• InChiKey: DYCRJVYMVCKMFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  74.31
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以86%的产率得到
  参考文献：
  名称：

  Facile synthesis of some new pyrazolo [3,4-b] pyrazines and their antifungal activity

  摘要：

  The synthesis of new pyrazolo[3,4-b]pyrazines and related heterocycles has been reported. The key intermediate 1,6-diphenyl-3-methyl-1 H-pyrazolo[ 3,4-b]pyrazine-5-carbonitrile 2 was obtained in one pot synthesis from the reaction of 5-amino-3-methyl-4-nitroso-1-phenyl-pyrazole 1 with benzoylacetonitrile. Modest antifungal activity was shown for some of the prepared compounds. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00014-7
• 作为产物：
  描述：

  1-Phenyl-4-(1,6-diphenyl-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-oyl)thiosemicarbazide 在 sodium hydroxide 、 水 作用下， 反应 3.0h， 以65%的产率得到
  参考文献：
  名称：

  Facile synthesis of some new pyrazolo [3,4-b] pyrazines and their antifungal activity

  摘要：

  The synthesis of new pyrazolo[3,4-b]pyrazines and related heterocycles has been reported. The key intermediate 1,6-diphenyl-3-methyl-1 H-pyrazolo[ 3,4-b]pyrazine-5-carbonitrile 2 was obtained in one pot synthesis from the reaction of 5-amino-3-methyl-4-nitroso-1-phenyl-pyrazole 1 with benzoylacetonitrile. Modest antifungal activity was shown for some of the prepared compounds. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00014-7