3-Amino-2-(4-chloro-phenylamino)-3,5,6,7-tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

• 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: 3-Amino-2-(4-chloro-phenylamino)-3,5,6,7-tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
• 英文别名: 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-amino-2-[(4-chlorophenyl)amino]-3,5,6,7-tetrahydro-；11-amino-10-(4-chloroanilino)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
• 化学式: C₁₅H₁₃ClN₄OS
• 分子量: 332.813
• InChiKey: MMTZOAUWVFOQAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  99
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 2-(3-(4-chlorophenyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 在 一水合肼 作用下， 反应 10.0h， 以43%的产率得到3-Amino-2-(4-chloro-phenylamino)-3,5,6,7-tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Synthesis, antimicrobial and antiviral evaluation of certain thienopyrimidine derivatives

  摘要：

  A series of 2-substituted amino-3-aminocyclopenteno or cyclohexeno[b]thieno[2,3-d]-3,4-dihydropyrimidin-4-ones has been synthesized by reacting the corresponding thioureido derivatives with hydrazine hydrate. The thienoprimidine analogues obtained were further used to prepare their arylideneamino, thienotriazolopyrimidine or 2-methylthienotriazolopyrimidine derivatives. The prepared compounds were screened for antimicrobial, antiviral and cytotoxic activity. Some of the tested compounds showed promising activity. Detailed syntheses and spectroscopic and biological data are reported.

  DOI：

  10.1016/0223-5234(96)88255-9