(5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-acetic acid [1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazide | 920339-02-2

• 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: (5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-acetic acid [1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazide
• CAS: 920339-02-2
• 化学式: C₁₉H₁₇ClN₄O₂S
• 分子量: 400.889
• InChiKey: HJLDHKVOFCFJAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  76.47
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-acetic acid [1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazide 在 溴 、 sodium acetate 、 溶剂黄146 作用下， 反应 1.0h， 生成 4-{[2-(4-chlorophenyl)-1,3,4-oxadiazol-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
• 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 哌啶 、 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 26.0h， 生成 (5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-acetic acid [1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazide
  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