6-bromo-4-chlorothymol | 1471239-66-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 6-bromo-4-chlorothymol
• 英文别名: 2-Bromo-4-chloro-3-methyl-6-propan-2-ylphenol；2-bromo-4-chloro-3-methyl-6-propan-2-ylphenol
• CAS: 1471239-66-3
• 化学式: C₁₀H₁₂BrClO
• 分子量: 263.562
• InChiKey: WWEITECBBYYIHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-氯-2-异丙基-5-甲基苯酚 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以50%的产率得到6-bromo-4-chlorothymol
  参考文献：
  名称：

  Synthesis of halogenated derivatives of thymol and their antimicrobial activities

  摘要：

  In order to test the antibacterial and antifungal activities of different halogenated thymol derivatives, thymol has been converted into chlorothymol, dichlorothymol with N-chlorosuccinimide; monobromothymol, dibromothymol with N-bromosuccinimide; O-methylated iodothymol with ceric ammonium nitrate and iodine from methylated thymol. Among the different derivatives tested, 4-chlorothymol was found to be most active against Staphylococcus aureus and Staphylococcus epidermis at a concentration of 12.5 and 25 ppm, respectively. Also it was tested to be active against Candida albicans (AI).

  DOI：

  10.1007/s00044-013-0809-8