1,3-dimethy-7-(1H-1,2,4-triazol-1-ylmethyl)-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione | 1239919-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1,3-dimethy-7-(1H-1,2,4-triazol-1-ylmethyl)-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
• 英文别名: 1,3-Dimethyl-7-(1h-1,2,4-triazol-1-ylmethyl)-6,7-dihydro[1,3]thiazolo[2,3-f]-purine-2,4(1h,3h)-dione；2,4-dimethyl-7-(1,2,4-triazol-1-ylmethyl)-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
• CAS: 1239919-43-7
• 化学式: C₁₂H₁₃N₇O₂S
• 分子量: 319.347
• InChiKey: QFYCATUWFZDMAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 8-Bromo-1,3-dimethyl-7-(2,3-epithiopropyl)xanthine 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以63%的产率得到1,3-dimethy-7-(1H-1,2,4-triazol-1-ylmethyl)-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
  参考文献：
  名称：

  8-halo-1,3-dimethyl-7-(thiiran-2-ylmethyl)-3,7-dihydro-1H-purine-2,6-diones, model thiiranes for investigating reactions with nucleophiles

  摘要：

  For the study of thiirane reactions with nucleophiles 8-halo-1,3-dimethyl-7-(thiiran-2-ylmethyl)-3,7dihydro-1H-purine-2,6-diones that did not form polymeric products through intramolecular heterocyclization into dihydrothiazolopurine derivatives were selected as model compounds. The possibility to employ the model thiiranes for the study of reactions with various nucleophiles was demonstrated.

  DOI：

  10.1134/s1070428009110207