1-(2-Fluorophenyl)-3-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]thiourea | 1391014-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-Fluorophenyl)-3-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]thiourea
• 英文别名: 1-(2-fluorophenyl)-3-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]thiourea
• CAS: 1391014-06-4
• 化学式: C₃₀H₂₄FN₅OS₂
• 分子量: 553.684
• InChiKey: RMJFXMATYORHIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-Fluorophenyl)-3-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]thiourea 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 以79%的产率得到4-(2-fluorophenyl)-5-[(1,4,5-triphenylimidazol-2-yl)thiomethyl]-2H-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Synthesis, Characterization and Evaluation of Antimicrobial Activity of Some Novel 1,2,4-Triazoles and 1,3,4-Thiadiazoles Bearing Imidazole Nuclues

  摘要：

  A series of N-1-[(4,5-di and 1,4,5-triphenylimidazol-2-yl)thioacetyl]-N-4-alkyl/aryl-thiosemicarbazides 3-7 were synthesized from (4,5-di and 3,4,5-triphenylimidazol-2-yl)thioacetic acid hydrazide 1, 2. The treatment of compounds 3-7 with NaOH gave 5- [(4,5-di and 1,4,5-triphenylimidazol-2-yl)-3-thiomethyl]-4-alkyl/aryl-2H-1,2,4-triazoles-3-thione 8-12, while the acidic treatment of compounds 3-7 afforded 5-[(4,5-di- and 1,4,5-triphenylimidazol-2-yl)-3-thiomethyl]-2-alkyl/arylamino-1,3,4-thiadiazoles 13-17. Moreover, potassium hydrazinecarbothionates 18, 19 were obtained from the reaction of acyl hydrazides 1, 2 with carbon disulfides in basic media and converted into 4-amino-1,2,4-triazole-3-thiones 20, 21 and 1,3,4-thiadiazole-2-thiols 22, 23 by the treatment with hydrazine hydrate and sulfuric acid, respectively. All newly synthesized compounds were screened for their antimicrobial activity.

  DOI：

  10.3987/com-12-12456
• 作为产物：
  描述：

  异硫氰酸(2-氟苯)酯 、 3,4,5-Triphenyl-imidazolyl-(2)-mercaptoessigsaeure-hydrazid 以 乙醇 为溶剂， 反应 6.0h， 以80%的产率得到1-(2-Fluorophenyl)-3-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]thiourea
  参考文献：
  名称：

  Synthesis, Characterization and Evaluation of Antimicrobial Activity of Some Novel 1,2,4-Triazoles and 1,3,4-Thiadiazoles Bearing Imidazole Nuclues

  摘要：

  A series of N-1-[(4,5-di and 1,4,5-triphenylimidazol-2-yl)thioacetyl]-N-4-alkyl/aryl-thiosemicarbazides 3-7 were synthesized from (4,5-di and 3,4,5-triphenylimidazol-2-yl)thioacetic acid hydrazide 1, 2. The treatment of compounds 3-7 with NaOH gave 5- [(4,5-di and 1,4,5-triphenylimidazol-2-yl)-3-thiomethyl]-4-alkyl/aryl-2H-1,2,4-triazoles-3-thione 8-12, while the acidic treatment of compounds 3-7 afforded 5-[(4,5-di- and 1,4,5-triphenylimidazol-2-yl)-3-thiomethyl]-2-alkyl/arylamino-1,3,4-thiadiazoles 13-17. Moreover, potassium hydrazinecarbothionates 18, 19 were obtained from the reaction of acyl hydrazides 1, 2 with carbon disulfides in basic media and converted into 4-amino-1,2,4-triazole-3-thiones 20, 21 and 1,3,4-thiadiazole-2-thiols 22, 23 by the treatment with hydrazine hydrate and sulfuric acid, respectively. All newly synthesized compounds were screened for their antimicrobial activity.

  DOI：

  10.3987/com-12-12456