4-(4-n-butylphenyl)-2-(N-methylamino)thiazole | 1134177-87-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-n-butylphenyl)-2-(N-methylamino)thiazole
• 英文别名: 4-(4-butylphenyl)-N-methyl-1,3-thiazol-2-amine
• CAS: 1134177-87-9
• 化学式: C₁₄H₁₈N₂S
• 分子量: 246.376
• InChiKey: PWLZZERSWLVMDU-UHFFFAOYSA-N

物化性质

• 熔点：
  93-95 °C(Solvent: Methanol)
• 沸点：
  380.0±45.0 °C(predicted)
• 密度：
  1.106±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-n-butylphenyl)-2-(N-methylamino)thiazole 、 乙酰氯 在 三乙胺 作用下， 反应 1.5h， 以41%的产率得到4-(4-n-butylphenyl)-2-(N-methyl-N-acetylamino)thiazole
  参考文献：
  名称：

  Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles

  摘要：

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.

  DOI：

  10.1080/10426500701842019
• 作为产物：
  描述：

  1-(4-butylphenyl)-2-chloroethan-1-one 、 N-甲硫脲 在 bismuth(III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以58%的产率得到4-(4-n-butylphenyl)-2-(N-methylamino)thiazole
  参考文献：
  名称：

  Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles

  摘要：

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.

  DOI：

  10.1080/10426500701842019

文献信息

• Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles
  作者：T. Giridhar、R. Buchi Reddy、A. Sunil Kumar、G. V. P. Chandra Mouli

  DOI：10.1080/10426500701842019

  日期：2008.7.4

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.