ethyl 4-hydrazino-2-methylthio-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate | 926034-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: ethyl 4-hydrazino-2-methylthio-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate
• CAS: 926034-06-2
• 化学式: C₁₃H₁₇N₅O₂S₂
• 分子量: 339.442
• InChiKey: IUKJCOQTXCITKJ-UHFFFAOYSA-N

物化性质

• 熔点：
  176-177 °C(Solv: methanol (67-56-1))
• 沸点：
  570.3±60.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  93.37
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 4-hydrazino-2-methylthio-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate 在 镍 氢气 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 ethyl 8,11-dihydropyrido[4',3':4,5]thieno[2,3-d]-1,2,4-triazolo[2,1-f]pyrimidine-9(10H)-carboxylate
  参考文献：
  名称：

  Heterocyclization of Orthoaminoester and Orthoamino-nitrile-thieno[2, 3-c]pyridine: The Facile Synthesis of Fused Pyridothienopyrimidines

  摘要：

  A highly efficient and versatile synthetic approach to the synthesis of pyrido[4',3':4,5]thieno[2,3-d]pyrimidines (4, 14, 15, 21) and their heterofused (e.g., triazolo-, triazino-, imidazo-, and tetrazolo-) pyridothienopyrimidines (5-9, 16, 17, 22-24) is described utilizing 2-amino-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-6-carboxylic acid ethyl ester (2) and diethyl 2-isothiocyanate-4,5,6,7-tetraltydrotltieno[2,3-c]pyridine-3,6-dicarboxylate (10) as starting materials.

  DOI：

  10.1080/10426500500263748
• 作为产物：
  描述：

  ethyl 2,4-bis(methylthio)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate 在 吡啶 、 一水合肼 作用下， 反应 4.0h， 以65%的产率得到ethyl 4-hydrazino-2-methylthio-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate
  参考文献：
  名称：

  Heterocyclization of Orthoaminoester and Orthoamino-nitrile-thieno[2, 3-c]pyridine: The Facile Synthesis of Fused Pyridothienopyrimidines

  摘要：

  A highly efficient and versatile synthetic approach to the synthesis of pyrido[4',3':4,5]thieno[2,3-d]pyrimidines (4, 14, 15, 21) and their heterofused (e.g., triazolo-, triazino-, imidazo-, and tetrazolo-) pyridothienopyrimidines (5-9, 16, 17, 22-24) is described utilizing 2-amino-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-6-carboxylic acid ethyl ester (2) and diethyl 2-isothiocyanate-4,5,6,7-tetraltydrotltieno[2,3-c]pyridine-3,6-dicarboxylate (10) as starting materials.

  DOI：

  10.1080/10426500500263748