4-(p-methoxyphenyl)-1-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazide | 848667-30-1

• 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: 4-(p-methoxyphenyl)-1-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazide
• 英文别名: N-(4-methoxyphenyl)-2-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide；1-(4-methoxyphenyl)-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)amino]thiourea
• CAS: 848667-30-1
• 化学式: C₁₈H₁₉N₅O₂S₂
• 分子量: 401.513
• InChiKey: TYBMTHDQYNOJPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(p-methoxyphenyl)-1-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazide 在 sodium acetate 、 碘甲烷 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以81%的产率得到3-(4-methoxyphenylamino)-6,7-tetramethylenethieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
  参考文献：
  名称：

  Synthesis of fused triazolothienopyrimidine derivatives

  摘要：

  Reactions of substituted 1-(thieno[2,3-d]pyrimidin-2-yl)-4-arylthiosemicarbazides with methyl iodide led to the formation of fused triazolothienopyrimidine derivatives.

  DOI：

  10.1134/s1070428006090260
• 作为产物：
  描述：

  2-hydrazino-5,6,7,8-tetrahydro<1>benzothieno<2,3-d>pyrimidin-4(3H)-one 、 4-甲氧基苯基 异硫氰酸酯 以 乙醇 为溶剂， 反应 2.0h， 以99%的产率得到4-(p-methoxyphenyl)-1-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazide
  参考文献：
  名称：

  Reaction of 4-Aryl-1-(4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidin-2-yl)thiosemicarbazides with Dimethyl Acetylenedicarboxylate

  摘要：

  4-Aryl-1-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazides react with dimethyl acetylenedicarboxylate in methanol to give the corresponding methyl {3-aryl-4-oxo-2-[(4-oxo-3,4-dihydrothieno[2.3-d]pyrimidin-2-yl)hydrazono]-1,3-thiazolidin-5-ylidene} acetates, whereas in dioxane methyl 5-arylamino-2-methoxycarbonylmethyl-3-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylates are mainly formed.

  DOI：

  10.1023/b:rujo.0000045202.20807.f8

文献信息

• Synthesis of fused triazolothienopyrimidine derivatives
  作者：R. I. Vas’kevich、P. V. Savitskii、Yu. L. Zborovskii、V. I. Staninets、A. V. Turov、A. N. Chernega

  DOI：10.1134/s1070428006090260

  日期：2006.9

  Reactions of substituted 1-(thieno[2,3-d]pyrimidin-2-yl)-4-arylthiosemicarbazides with methyl iodide led to the formation of fused triazolothienopyrimidine derivatives.
• Reaction of 4-Aryl-1-(4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidin-2-yl)thiosemicarbazides with Dimethyl Acetylenedicarboxylate
  作者：R. I. Vas’kevich、Yu. L. Zborovskii、V. I. Staninets、A. N. Chernega

  DOI：10.1023/b:rujo.0000045202.20807.f8

  日期：2004.7

  4-Aryl-1-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazides react with dimethyl acetylenedicarboxylate in methanol to give the corresponding methyl 3-aryl-4-oxo-2-[(4-oxo-3,4-dihydrothieno[2.3-d]pyrimidin-2-yl)hydrazono]-1,3-thiazolidin-5-ylidene} acetates, whereas in dioxane methyl 5-arylamino-2-methoxycarbonylmethyl-3-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylates are mainly formed.