ethyl (5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4-yloxy)acetate | 492429-67-1

• 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 (5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4-yloxy)acetate
• CAS: 492429-67-1
• 化学式: C₁₄H₁₆N₂O₃S
• 分子量: 292.359
• InChiKey: WDAPEEHESPYCFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.31
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl (5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4-yloxy)acetate 在 吡啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成
  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
• 作为产物：
  描述：

  氯乙酸乙酯 、 5,6,7,8-四氢-[1]-苯并噻吩[2,3-d]嘧啶-4(1h)-酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以64%的产率得到ethyl (5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4-yloxy)acetate
  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