4-(Bromomethyl)-1-dodecyl-triazole | 1275365-99-5

• 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-(Bromomethyl)-1-dodecyl-triazole
• 英文别名: 4-(bromomethyl)-1-dodecyltriazole
• CAS: 1275365-99-5
• 化学式: C₁₅H₂₈BrN₃
• mdl: MFCD19152423
• 分子量: 330.311
• InChiKey: HKCVPTVZLFPJBP-UHFFFAOYSA-N

物化性质

• 沸点：
  408.4±37.0 °C(predicted)
• 密度：
  1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.866
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(Bromomethyl)-1-dodecyl-triazole 、 2,4-二氯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以94%的产率得到4-((2,4-dichlorophenoxy)methyl)-1-dodecyl-1H-1,2,3-triazole
  参考文献：
  名称：

  Chemical synthesis and biological evaluation of triazole derivatives as inhibitors of InhA and antituberculosis agents

  摘要：

  A series of triazoles have been prepared and evaluated as inhibitors of InhA as well as inhibitors of Mycobacterium tuberculosis H37Rv. Several of these new compounds possess a good activity against InhA, particularly compounds 17 and 18 for which molecular docking has been performed. Concerning their activities against M. tuberculosis H37Rv strain, two of them, 3 and 12, were found to be good inhibitors with MIC values of 0.50 and 0.25 mu g/ml, respectively. Particularly, compound 12 presenting the best MIC value of all compounds tested (0.6 mu M) is totally inactive against InhA. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.03.029
• 作为产物：
  描述：

  溴代十二烷 在 sodium azide 、 LaCu_0.7Mn_0.3O₃ 、 三溴化磷 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 4-(Bromomethyl)-1-dodecyl-triazole
  参考文献：
  名称：

  通过 LaCuxMn1-xO3 纳米粒子声催化的点击反应合成带有有机硅-硫基团的新型 1,4-二取代 1,2,3-三唑

  摘要：

  摘要 开发了一种高效、环保的一锅法，用于在 LaCuxMn1-xO3 钙钛矿氧化物上通过苄基卤化物、末端炔烃和叠氮化钠的 1,3-偶极环加成反应合成 1,2,3-三唑。发现 LaCu0.7Mn0.3O3 在水介质中超声辐照下具有低催化剂负载量的活性。在没有任何添加剂或碱的情况下，在纳米催化剂的存在下，反应有效地进行，反应时间显着减少。催化剂可以循环使用至少5次，对反应结果没有任何显着影响。此外，使用二硫化碳和三（三甲基甲硅烷基）甲基锂合成了一系列新型有机硅硫取代的 1,2,3-三唑衍生物。图形概要

  DOI：

  10.1080/00397911.2016.1217339

文献信息

• Chemical synthesis and biological evaluation of triazole derivatives as inhibitors of InhA and antituberculosis agents
  作者：Christophe Menendez、Aurélien Chollet、Frédéric Rodriguez、Cyril Inard、Maria Rosalia Pasca、Christian Lherbet、Michel Baltas

  DOI：10.1016/j.ejmech.2012.03.029

  日期：2012.6

  A series of triazoles have been prepared and evaluated as inhibitors of InhA as well as inhibitors of Mycobacterium tuberculosis H37Rv. Several of these new compounds possess a good activity against InhA, particularly compounds 17 and 18 for which molecular docking has been performed. Concerning their activities against M. tuberculosis H37Rv strain, two of them, 3 and 12, were found to be good inhibitors with MIC values of 0.50 and 0.25 mu g/ml, respectively. Particularly, compound 12 presenting the best MIC value of all compounds tested (0.6 mu M) is totally inactive against InhA. (C) 2012 Elsevier Masson SAS. All rights reserved.
• Synthesis of novel 1,4-disubstituted 1,2,3-triazoles bearing organosilicon-sulfur groups via the click reaction sonocatalyzed by LaCu_xMn_1-xO₃ nanoparticles
  作者：Kazem D. Safa、Hanieh Mousazadeh

  DOI：10.1080/00397911.2016.1217339

  日期：2016.10.1

  ABSTRACT A highly efficient and environmentally friendly one-pot procedure for the synthesis of 1,2,3-triazoles by 1,3-dipolar cycloaddition of benzyl halides, terminal alkynes, and sodium azide over LaCuxMn1-xO3 perovskite oxides was developed. LaCu0.7Mn0.3O3 was found to be active with low catalyst loading under ultrasonic irradiation in aqueous media. The reaction was performed efficiently in the presence

  摘要 开发了一种高效、环保的一锅法，用于在 LaCuxMn1-xO3 钙钛矿氧化物上通过苄基卤化物、末端炔烃和叠氮化钠的 1,3-偶极环加成反应合成 1,2,3-三唑。发现 LaCu0.7Mn0.3O3 在水介质中超声辐照下具有低催化剂负载量的活性。在没有任何添加剂或碱的情况下，在纳米催化剂的存在下，反应有效地进行，反应时间显着减少。催化剂可以循环使用至少5次，对反应结果没有任何显着影响。此外，使用二硫化碳和三（三甲基甲硅烷基）甲基锂合成了一系列新型有机硅硫取代的 1,2,3-三唑衍生物。图形概要