1-(4-chlorophenyl)-4-(fluoromethyl)-1H-1,2,3-triazole | 1325725-11-8

• 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-(4-chlorophenyl)-4-(fluoromethyl)-1H-1,2,3-triazole
• 英文别名: 1-(4-Chlorophenyl)-4-(fluoromethyl)triazole
• CAS: 1325725-11-8
• 化学式: C₉H₇ClFN₃
• 分子量: 211.626
• InChiKey: ILTYRLLRSWVYEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-叠氮-4-氯苯 在 copper(ll) sulfate pentahydrate 、 二甲氨基三氟化硫 、 sodium ascorbate 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， 生成 1-(4-chlorophenyl)-4-(fluoromethyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Novel 1,2,3-Triazole Derivatives for Use against Mycobacterium tuberculosis H37Rv (ATCC 27294) Strain

  摘要：

  The purpose of this study was to prepare various 4-substituted N-phenyl-1,2,3-triazole derivatives using click chemistry. The derivatives were screened in vitro for antimicrobial activity against Mycobacterium tuberculosis strain H37Rv (ATCC 27294) using the Alamar Blue susceptibility test. The activity was expressed as the minimum inhibitory concentration (MIC) in mu g/mL (mu M). Derivatives of isoniazid (INH), (E)-N'-[(1-aryl)-1H-1,2,3-triazole-4-yl)methylene] isonicotinoyl hydrazides, exhibited significant activity with MIC values ranging from 2.5 to 0.62 mu g/mL. In addition, they displayed low cytotoxicity against liver cells (hepatoma HepG2) and kidney cells (BGM), thereby providing a high therapeutic index. The results demonstrated the potential and importance of developing new INH derivatives to treat mycobacterial infections.

  DOI：

  10.1021/jm2003624