3-(4-chlorophenyl)-6-phenylspiro[2,3-dihydro-1H-pyrazolo[3,4-d][1,3]thiazole-5,1'-cyclohexane] | 1246086-95-2

• 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: 3-(4-chlorophenyl)-6-phenylspiro[2,3-dihydro-1H-pyrazolo[3,4-d][1,3]thiazole-5,1'-cyclohexane]
• CAS: 1246086-95-2
• 化学式: C₂₁H₂₂ClN₃S
• 分子量: 383.945
• InChiKey: KWRVPSLBZBNDTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[(4-chlorophenyl)methylidene]-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以80%的产率得到3-(4-chlorophenyl)-6-phenylspiro[2,3-dihydro-1H-pyrazolo[3,4-d][1,3]thiazole-5,1'-cyclohexane]
  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

文献信息

• Facile Novel Synthesis and Reactions of Thiazolidin-4-one Derivatives for Antimicrobial Agents
  作者：Hayam H. Sayed、Eman M. H. Morsy、Eman R. Kotb

  DOI：10.1080/00397910903318674

  日期：2010.8.16

  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.