Methyl-2,4-dichlorbiphenylyl-keton | 93534-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl-2,4-dichlorbiphenylyl-keton
• 英文别名: 4-acetyl-2',4'-dichlorobiphenyl；1-[4-(2,4-Dichlorophenyl)phenyl]ethanone
• CAS: 93534-23-7
• 化学式: C₁₄H₁₀Cl₂O
• 分子量: 265.139
• InChiKey: FDSGCGJRXIQQJP-UHFFFAOYSA-N

物化性质

• 熔点：
  118-129 °C
• 沸点：
  364.7±27.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Methyl-2,4-dichlorbiphenylyl-keton 在 sodium hydroxide 、 氢气 、 lithium hexamethyldisilazane 作用下， 以 乙醇 为溶剂， 生成 5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors

  摘要：

  Starting with a micromolar lead identified from high-throughput screening, a series of pyrazoles were discovered with significanty improved potency on bacterial methionyl-tRNA synthetase and selectivity over human methionyl-tRNA synthetase. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00298-1
• 作为产物：
  描述：

  4-溴苯乙酮 、 2,4-二氯苯硼酸 在 (R,R)-N,N'-bis[(2-fluorophenyl)methyl]-1,2-cyclohexanediamine PdCl₂ complex 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以98%的产率得到Methyl-2,4-dichlorbiphenylyl-keton
  参考文献：
  名称：

  使用二胺或二亚胺-钯配合物通过 Suzuki 交叉偶联合成氯化联苯

  摘要：

  几种新型二亚胺（Salen 型配体）2a-2i 及其还原的二胺对应物 3b、3d-3g 和 3i 在 DMF 或甲醇中与 PdCl2 形成复合物 4a-4i、5b、5d-5g 和 5i。根据与空气接触的铃木交叉偶联方案，使用 1 mol% 的分离配合物 4e 和 5f，可以以中等至极好的产率制备许多多氯联苯 (PCB)。几种4-乙酰联苯

  DOI：

  10.1002/ejoc.200800119

文献信息

• Synthesis and molecular docking studies of novel pyrimidine derivatives as potential antibacterial agents
  作者：Xue-Qian Bai、Chun-Shi Li、Ming-Yue Cui、Ze-Wen Song、Xing-Yu Zhou、Chao Zhang、Yang Zhao、Tian-Yi Zhang、Tie-Yan Jiang

  DOI：10.1007/s11030-019-10019-8

  日期：2020.11

  Abstract The present work describes the in vitro antibacterial evaluation of some new pyrimidine derivatives. Twenty-two target compounds were designed, synthesized and preliminarily explored for their antimicrobial activities. The antimicrobial assay revealed that some target compounds exhibited significantly inhibitory efficiencies toward bacteria and fungal including drug-resistant pathogens. Compound

  摘要 本工作描述了一些新型嘧啶衍生物的体外抗菌评价。设计，合成并初步探索了22种目标化合物的抗菌活性。抗菌测定表明，某些目标化合物对细菌和真菌（包括耐药病原体）表现出明显的抑制作用。化合物7c对革兰氏阳性细菌（例如金黄色葡萄球菌4220），革兰氏阴性细菌（例如大肠杆菌1924）和真菌白色念珠菌7535表现出最强的抑制活性，MIC为2.4μmol/ L。化合物7c也是最有效的，对四种具有多重耐药性的革兰氏阳性细菌菌株的MIC为2.4或4.8μmol/ L。在人正常肝细胞（L02细胞）中评估了化合物7c，10a，19d和26b的毒性评估。分子对接模拟和分析表明，化合物7c与二氢叶酸还原酶（DHFR）的活性腔具有良好的相互作用。体外酶研究暗示化合物7c也显示出DHFR抑制作用。 图形摘要
• DE2047806
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] VANCOMYCIN ANALOGS<br/>[FR] ANALOGUES DE LA VANCOMYCINE
  申请人：UNIV LEUVEN KATH

  公开号：WO2015022335A1

  公开（公告）日：2015-02-19

  Efforts have thus been made towards the discovery of the next generation of antibiotics to combat the antibiotic resistance in emerging bacterial strains. In spite of these efforts, there remains a need in the art for novel antibiotics and variations of existing antibiotics. For example, there is a need for low toxicity bearing compounds, which can be used for the treatment of vancomycin resistant as well as sensitive strains, with low molar concentrations as compared to vancomycin. The present invention provides compounds of formula (1), Wherein Ra has the meaning as defined in the claims. The present invention also relates to pharmaceutical composition comprising said compounds. The present invention also relates to said compound and pharmaceutical composition for use as an antibacterial compound.
• Synthesis of Chlorinated Biphenyls by Suzuki Cross-Coupling Using Diamine or Diimine-Palladium Complexes
  作者：Tuula Kylmälä、Noora Kuuloja、Youjun Xu、Kari Rissanen、Robert Franzén

  DOI：10.1002/ejoc.200800119

  日期：2008.8

  and their reduced diamine counterparts 3b,3d–3g and 3i form complexes 4a–4i, 5b,5d–5g, and 5i with PdCl2 in DMF or methanol. Using 1 mol-% of the isolated complexes 4e and 5f many polychlorinated biphenyls (PCBs) can be prepared in moderate to excellent yields according to the Suzuki crosscoupling protocol with contact to air. Several 4-acetylbiphen

  几种新型二亚胺（Salen 型配体）2a-2i 及其还原的二胺对应物 3b、3d-3g 和 3i 在 DMF 或甲醇中与 PdCl2 形成复合物 4a-4i、5b、5d-5g 和 5i。根据与空气接触的铃木交叉偶联方案，使用 1 mol% 的分离配合物 4e 和 5f，可以以中等至极好的产率制备许多多氯联苯 (PCB)。几种4-乙酰联苯
• Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors
  作者：John Finn、Karen Mattia、Mike Morytko、Siya Ram、Yingfei Yang、Ximao Wu、Elsa Mak、Paul Gallant、Dennis Keith

  DOI：10.1016/s0960-894x(03)00298-1

  日期：2003.7

  Starting with a micromolar lead identified from high-throughput screening, a series of pyrazoles were discovered with significanty improved potency on bacterial methionyl-tRNA synthetase and selectivity over human methionyl-tRNA synthetase. (C) 2003 Elsevier Science Ltd. All rights reserved.