α-(1H-1,2,4-triazolo-1-yl)-α-bromo-para-fluoroacetophenone | 552849-88-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: α-(1H-1,2,4-triazolo-1-yl)-α-bromo-para-fluoroacetophenone
• 英文别名: 2-Bromo-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
• CAS: 552849-88-4
• 化学式: C₁₀H₇BrFN₃O
• 分子量: 284.087
• InChiKey: FLXYSMJOGTVHBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  T406石油添加剂 、 α-(1H-1,2,4-triazolo-1-yl)-α-bromo-para-fluoroacetophenone 在 三乙胺 作用下， 以 氯仿 、 丙酮 为溶剂， 反应 2.0h， 以42%的产率得到2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazole-1-yl)ethanone
  参考文献：
  名称：

  新型三唑化合物的合成及生物活性

  摘要：

  合成了十五个带有三唑部分的新颖化合物并对其结构进行了表征。标题化合物显示出一定的抗真菌和植物生长调节活性，尤其是在4d和4c的情况下。后者化合物也影响肝癌7402细胞的生存能力。

  DOI：

  10.1002/jhet.5570440112
• 作为产物：
  描述：

  3,4-二氢-5-甲基-1H-2-苯并吡喃 在 溴 、 sodium acetate 、 溶剂黄146 作用下， 生成 α-(1H-1,2,4-triazolo-1-yl)-α-bromo-para-fluoroacetophenone
  参考文献：
  名称：

  Synthesis and Biological Activities of O, O-Dialkyl-dithiophosphoryl-S-acetoxy Triazolo Compounds

  摘要：

  In this article, we introduce organic phosphorus moiety into triazole ring to prepare O-dialkyl-dithiophosphoryl-S-acetoxy triazolo compounds and characterize their structures by elementary analysis and (HNMR)-H-1 and IR spectral data. From the results of biological activity screening, we found that the O-dialkyl-dithiophosphoryl-S-acetoxy triazolo compounds show lower fungicidal activities and their structures need to be optimized for the better.

  DOI：

  10.1080/10426500307939

文献信息

• Synthesis and Biological Activities of O, O-Dialkyl-dithiophosphoryl-S-acetoxy Triazolo Compounds
  作者：Wen-Bin Chen、Gui-Yu Jin

  DOI：10.1080/10426500307939

  日期：2003.2.1

  In this article, we introduce organic phosphorus moiety into triazole ring to prepare O-dialkyl-dithiophosphoryl-S-acetoxy triazolo compounds and characterize their structures by elementary analysis and (HNMR)-H-1 and IR spectral data. From the results of biological activity screening, we found that the O-dialkyl-dithiophosphoryl-S-acetoxy triazolo compounds show lower fungicidal activities and their structures need to be optimized for the better.
• Syntheses and biological activities of novel triazole compounds
  作者：Shu-Sheng Zhang、Jun Wan、Chun-Li Li、Xue-Mei Li、Bin Qu

  DOI：10.1002/jhet.5570440112

  日期：2007.1

  Fifteen novel compounds bearing the triazole moiety were synthesized and structurally characterized. The title compounds showed some antimycotic and plant growth regulating activities, especially in the case of 4d and 4c. The latter compound affected also the liver cancer 7402 cell viability.

  合成了十五个带有三唑部分的新颖化合物并对其结构进行了表征。标题化合物显示出一定的抗真菌和植物生长调节活性，尤其是在4d和4c的情况下。后者化合物也影响肝癌7402细胞的生存能力。