ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate | 1160217-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate
• CAS: 1160217-28-6
• 化学式: C₁₆H₂₄N₄O₄S
• 分子量: 368.457
• InChiKey: ZTVRMXFEQNEINN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.33
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-carboxylate 、 4-甲基苯肼盐酸盐 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以42%的产率得到ethyl 2-amino-4-oxo-5-(p-tolylamino)-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
• 作为产物：
  描述：

  2-氨基-4-(2-乙氧基-2-氧代乙基)-1,3-噻唑-5-羧酸乙酯 、 N,N-二甲基甲酰胺二甲基缩醛 反应 15.0h， 以77%的产率得到ethyl 4-[1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-2-[(dimethylamino)methylideneamino]thiazole-5-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