ethyl 2-amino-4-oxo-5-(pyrimidin-2-ylamino)-4,5-dihydrothiazolo[5,4-c]pyridine-7-carboxylate | 1192309-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 2-amino-4-oxo-5-(pyrimidin-2-ylamino)-4,5-dihydrothiazolo[5,4-c]pyridine-7-carboxylate
• 英文别名: Ethyl 2-amino-4-oxo-5-(pyrimidin-2-ylamino)-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate；ethyl 2-amino-4-oxo-5-(pyrimidin-2-ylamino)-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
• CAS: 1192309-41-3
• 化学式: C₁₃H₁₂N₆O₃S
• 分子量: 332.343
• InChiKey: YPEGWKGXQQKGPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-肼基嘧啶 、 ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以73%的产率得到ethyl 2-amino-4-oxo-5-(pyrimidin-2-ylamino)-4,5-dihydrothiazolo[5,4-c]pyridine-7-carboxylate
  参考文献：
  名称：

  Transformations of Ethyl 2-Amino-4-(2-ethoxy-2-oxoethyl)thioazole-5-carboxylate into 5-Substituted 2-Amino-4-oxo-4,5-dihydrothiazolo[5,4-c]pyridine-7-carboxylates

  摘要：

  Ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate (2), prepared from ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylate (1) according to a known procedure, was transformed with aromatic amines 3a-d into 5-aryl substituted 2-aminothiazolo[5,4-c]pyridine-7-carboxylates 5a-d, while treatment of 2 with monosubstituted hydrazines 6a-h produced 5-N-amino substituted thiazolo[5,4-c]pyridine-7-carboxylates 8a-h.

  DOI：

  10.3987/com-09-11711

文献信息

• Transformations of Ethyl 2-Amino-4-(2-ethoxy-2-oxoethyl)thioazole-5-carboxylate into 5-Substituted 2-Amino-4-oxo-4,5-dihydrothiazolo[5,4-c]pyridine-7-carboxylates
  作者：Branko Stanovnik、Alen Albreht、Uroš Uršič、Jurij Svete

  DOI：10.3987/com-09-11711

  日期：——

  Ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate (2), prepared from ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylate (1) according to a known procedure, was transformed with aromatic amines 3a-d into 5-aryl substituted 2-aminothiazolo[5,4-c]pyridine-7-carboxylates 5a-d, while treatment of 2 with monosubstituted hydrazines 6a-h produced 5-N-amino substituted thiazolo[5,4-c]pyridine-7-carboxylates 8a-h.