ethyl 8,11-dihydropyrido[4',3':4,5]thieno[2,3-d]-1,2,4-triazolo[2,1-f]pyrimidine-9(10H)-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: ethyl 8,11-dihydropyrido[4',3':4,5]thieno[2,3-d]-1,2,4-triazolo[2,1-f]pyrimidine-9(10H)-carboxylate
• 英文别名: Ethyl 10-thia-3,4,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-13-carboxylate
• 化学式: C₁₃H₁₃N₅O₂S
• 分子量: 303.345
• InChiKey: OOGLJBZCEIVEGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  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

文献信息

• Ahmed; Gohar; Ameen, Pharmazie, 2000, vol. 55, # 1, p. 31 - 34
  作者：Ahmed、Gohar、Ameen

  DOI：——

  日期：——
• Heterocyclization of Orthoaminoester and Orthoamino-nitrile-thieno[2, 3-<i>c</i>]pyridine: The Facile Synthesis of Fused Pyridothienopyrimidines
  作者：E. Kh. Ahmed、M. A. Ameen、F. F. Abdel-latif

  DOI：10.1080/10426500500263748

  日期：2006.3.1

  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.