3,5-bis(benzotriazol-1-ylmethyl)toluene | 1442421-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 3,5-bis(benzotriazol-1-ylmethyl)toluene
• CAS: 1442421-23-9
• 化学式: C₂₁H₁₈N₆
• 分子量: 354.414
• InChiKey: LVAMULNQJNNIJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3,5-bis(benzotriazol-1-ylmethyl)toluene 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 3.0h， 以58%的产率得到dichloro[3,5-bis(benzotriazol-1-ylmethyl)toluene-N,N]zinc(II)
  参考文献：
  名称：

  Metal Complex Derivatives of Azole: a Study on Their Synthesis, Characterization, and Antibacterial and Antifungal Activities

  摘要：

  Four new zinc complex derivatives of azoles and ligands were synthesized and isolated as white air-stable solids and characterized by elemental analyses, thermogravimetric analysis (TGA), infrared spectroscopy, nuclear magnetic resonance (NMR) and mass spectra. The elemental analysis, theoretical calculations and NMR show that the complexes likely have a 1: 1 (M: L) stoichiometry and tetrahedral geometry. To evaluate the biological activity of the complexes and to discuss the role of metal ions and structural properties, the ligands and their metal complexes have been studied. Their antimicrobial activity was determined in vitro by agar-well diffusion and broth microdilution against nine bacterial strains and seven fungal strains with clinical relevance. In vitro assays showed that the complexes exhibited moderate antibacterial and/or antifungal activities. The antimicrobial activity was found to be more active for the metal complexes than the ligands. The metal complexes that contained copper and cobalt, respectively, displayed notable antibacterial and antifungal effects against all the tested bacterial strains. The minimum inhibitory concentration 50 (MIC50) values were in the range 2454-0.7 mu g mL(-1). Metal complexes were more effective at inhibiting bacteria than fungi. The results could provide a high-potential solution for antimicrobial growth resistance, for both bacteria and fungi.

  DOI：

  10.5935/0103-5053.20160130
• 作为产物：
  描述：

  T406石油添加剂 、 3,5-二(溴甲基)甲苯 以 甲苯 为溶剂， 反应 48.0h， 以54%的产率得到3,5-bis(benzotriazol-1-ylmethyl)toluene
  参考文献：
  名称：

  PALLADIUM COMPLEX BEARING 3,5-BIS(BENZOTRIAZOL-1-YLMETHYL)TOLUENE LIGAND CATALYZES OXIDATIVE AMINATION OF ALLYL BUTYL ETHER

  摘要：

  DOI：

  10.4067/s0717-97072013000100007

文献信息

• Antibacterial Activities of Azole Complexes Combined with Silver Nanoparticles
  作者：Nestor Bello-Vieda、Homero Pastrana、Manuel Garavito、Alba Ávila、Adriana Celis、Alvaro Muñoz-Castro、Silvia Restrepo、John Hurtado

  DOI：10.3390/molecules23020361

  日期：——

  calculations. The antibacterial activities of the metal complexes by themselves and combined with silver nanoparticles (AgNPs; 2 μg mL-1) were assessed in vitro by broth microdilution assays against eight bacterial strains of clinical relevance. The results showed that the complexes alone exhibited moderate antibacterial activities. However, when the metal complexes were combined with AgNPs, their antibacterial

  世卫组织，疾病预防控制中心和食品与药物管理局等卫生组织认为，不断增长的抗菌素耐药性对人类健康安全构成潜在威胁，并以MRSA为例。需要新的抗菌药物和复杂的衍生物来对抗细菌耐药性的发展。合成并分离出六种新的唑衍生物铜和钴配合物，它们为空气稳定的固体，并通过熔点分析，元素分析，热重分析（TGA）以及红外和紫外/可见光谱进行表征。分析和光谱数据表明，该配合物具有1：1（M：L）的化学计量比和四面体的几何值，后者得到DFT计算的支持。金属配合物本身的抗菌活性以及与银纳米颗粒（AgNPs）的结合 通过肉汤微量稀释测定法针对8种具有临床相关性的菌株在体外评估了2μgmL-1）。结果表明，单独的复合物表现出中等的抗菌活性。然而，当金属配合物与AgNPs结合时，它们的抗菌活性增加（在配合物5的情况下达到10倍），同时保持了人类细胞的活力。最小抑菌浓度（MIC50）值在25-500μgmL-1的范围内。因此，