2-(4-Chlorophenyl)-6-phenylspiro[4,10-dithia-1,6,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-diene-5,1'-cyclohexane]-12-one | 1246086-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Chlorophenyl)-6-phenylspiro[4,10-dithia-1,6,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-diene-5,1'-cyclohexane]-12-one
• CAS: 1246086-99-6
• 化学式: C₂₄H₂₂ClN₃OS₂
• 分子量: 468.043
• InChiKey: UGSVSUPSQLZSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-Chlorophenyl)-6-phenylspiro[4,10-dithia-1,6,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-diene-5,1'-cyclohexane]-12-one 、 4-氯苯甲醛 在 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 反应 3.0h， 以70%的产率得到2-(4-chlorophenyl)-11-[(4-chlorophenyl)methylidene]-6-phenylspiro[4,10-dithia-1,6,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-diene-5,1'-cyclohexane]-12-one
  参考文献：
  名称：

  Facile Novel Synthesis and Reactions of Thiazolidin-4-one Derivatives for Antimicrobial Agents

  摘要：

  A facile and fast procedure for synthesis of 3-phenyl-cyclohexane(1'-2)thiazolidin-4-one (1), which underwent condensation with glucose and p-chlorobenzaldehyde to afford 2 and 3, respectively. Compound 3 was used as precursor for the preparation of some fused heterocyclic compounds 4-7. Compound 4 was alkylated using dichloroacetone and chloroacetic acid to afford 8 and 9, respectively. Also, it reacted with acrylonitrile and hydrazine hydrate to afford 10 and 11, respectively. Compound 9 was condensed with p-chlorobenzaldehyde and glucose to afford 12 and 13, respectively. Selected members of the synthesized compounds were screened for antimicrobial activity.

  DOI：

  10.1080/00397910903318674
• 作为产物：
  描述：

  7-(4-chlorophenyl)-3-phenylspiro[6,7-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,1'-cyclohexane]-5-thione 、 氯乙酸 在 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 反应 3.0h， 以75%的产率得到2-(4-Chlorophenyl)-6-phenylspiro[4,10-dithia-1,6,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-diene-5,1'-cyclohexane]-12-one
  参考文献：
  名称：

  Facile Novel Synthesis and Reactions of Thiazolidin-4-one Derivatives for Antimicrobial Agents

  摘要：

  A facile and fast procedure for synthesis of 3-phenyl-cyclohexane(1'-2)thiazolidin-4-one (1), which underwent condensation with glucose and p-chlorobenzaldehyde to afford 2 and 3, respectively. Compound 3 was used as precursor for the preparation of some fused heterocyclic compounds 4-7. Compound 4 was alkylated using dichloroacetone and chloroacetic acid to afford 8 and 9, respectively. Also, it reacted with acrylonitrile and hydrazine hydrate to afford 10 and 11, respectively. Compound 9 was condensed with p-chlorobenzaldehyde and glucose to afford 12 and 13, respectively. Selected members of the synthesized compounds were screened for antimicrobial activity.

  DOI：

  10.1080/00397910903318674