4-[(1,2,3,4-oxatriazol-5-yl)methoxy]-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidine

• 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: 4-[(1,2,3,4-oxatriazol-5-yl)methoxy]-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidine
• 英文别名: 5-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)oxatriazole
• 化学式: C₁₂H₁₁N₅O₂S
• 分子量: 289.318
• InChiKey: SZHJVHSXVCTRTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6,7,8-四氢-[1]-苯并噻吩[2,3-d]嘧啶-4(1h)-酮 在 potassium carbonate 、 一水合肼 、 溶剂黄146 、 sodium nitrite 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 29.0h， 生成 4-[(1,2,3,4-oxatriazol-5-yl)methoxy]-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidine
  参考文献：
  名称：

  The Utility of 2-(5,6,7,8-Tetrahydrobenzo[b]thieno-[2,3-d]pyrimidin-4-yloxy) Acethydrazide in Heterocyclic Synthesis

  摘要：

  Because of being a versatile synthon, the title compound 2 was utilized to construct different heterocyclic systems including pyrazol-4-carbonitrile 3, pyrazolone 4, triazole-5(4H)-thione 7, aminotriazole 9, oxadiazoles 10 and 12, thiazolidine 13, and oxatriazole 14. All new synthesized compounds were structurally confirmed by elemental analyses and spectroscopic data.

  DOI：

  10.1080/10426500500326834

文献信息

• The Utility of 2-(5,6,7,8-Tetrahydrobenzo[<i>b</i>]thieno-[2,3-<i>d</i>]pyrimidin-4-yloxy) Acethydrazide in Heterocyclic Synthesis
  作者：M. E. Azab、H. M. F. Madkour、M. A. E. Ibraheem

  DOI：10.1080/10426500500326834

  日期：2006.7.1

  Because of being a versatile synthon, the title compound 2 was utilized to construct different heterocyclic systems including pyrazol-4-carbonitrile 3, pyrazolone 4, triazole-5(4H)-thione 7, aminotriazole 9, oxadiazoles 10 and 12, thiazolidine 13, and oxatriazole 14. All new synthesized compounds were structurally confirmed by elemental analyses and spectroscopic data.