1-(1-甲基-1H-苯并咪唑-2-基)乙酮 | 942-25-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-(1-甲基-1H-苯并咪唑-2-基)乙酮
• 英文名称: 2-acetyl-1-methylbenzimidazole
• 英文别名: N-methyl-2-acetylbenzimidazole；1-Methyl-2-acetyl-benzimidazol；1-methyl-2-acetylbenzimidazole；2-Acetyl-1-methylbenzimidazol；1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethan-1-one；1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethanone；1-(1-methyl-1H-benzimidazol-2-yl)-ethanone；1-(1-Methyl-1H-benzimidazol-2-yl)ethanone；1-(1-methylbenzimidazol-2-yl)ethanone
• CAS: 942-25-6
• 化学式: C₁₀H₁₀N₂O
• mdl: MFCD00159995
• 分子量: 174.202
• InChiKey: KVWZNOQTUQEVGN-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C(Solv: water (7732-18-5))
• 沸点：
  327.8±25.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-甲基-1H-苯并咪唑-2-基)乙酮 在 ammonium acetate 、 potassium carbonate 、 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 、 丙酮 、 正丁醇 为溶剂， 反应 20.0h， 生成 2-[(5-thioxo-4H-1,3,4-oxadiazol-2-yl)methoxy]-4-(3,4,5-trimethoxyphenyl)-6-(1-methyl-1H-benzo[d]imidazol-2-yl)pyridine-3-carbonitrile
  参考文献：
  名称：

  Nofal, Zienab M.; Soliman, Elsyed A.; Abd El-Karim, Somaia S., Acta poloniae pharmaceutica, 2011, vol. 68, # 4, p. 519 - 534

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基-1,2-苯二胺 在 chromium(VI) oxide 、 盐酸 作用下， 以 溶剂黄146 为溶剂， 生成 1-(1-甲基-1H-苯并咪唑-2-基)乙酮
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Antioxidant Property of a New Co(Ш) Coordination Polymer Based on Ligand (E)-2-{2-[1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethylidene]hydrazinyl}benzo[d]thiazole

  摘要：

  A new Co(S) complex, [CoL2](ClO4)(CH3CN) (1) (HL = (E)-2-{2-[1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethylidene]hydrazinyl} benzo[d]thizole), has been prepared by solvent evaporation method, and characterized by single-crystal X-ray diffraction, bond valence sum, and elemental analysis. The result of single-crystal X-ray diffraction analysis indicates that each Co(S) ion is six-coordinated by six nitrogen atoms from two L- to form distorted octahedral geometry. The hydrogen bonds and pi center dot center dot center dot pi stacking interactions ensure the cohesion of crystal lattice in a 3D supramolecular framework in the solid state. The antioxidant activities of HL and 1 were also studied.

  DOI：

  10.1080/15533174.2013.841234

文献信息

• [EN] CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME<br/>[FR] COMPOSÉS DE SULFAMIDE CYCLIQUE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ASSEMBLY BIOSCIENCES INC

  公开号：WO2018160878A1

  公开（公告）日：2018-09-07

  The present disclosure provides, in part, cyclic sulfamide compounds, and pharmaceutical compositions thereof, useful as modulators of Hepatitis B (HBV) core protein, and methods of treating Hepatitis B (HBV) infection.

  本公开提供了部分环磺胺化合物及其药物组合物，可用作乙型肝炎（HBV）核心蛋白的调节剂，并用于治疗乙型肝炎（HBV）感染的方法。
• Microwave-Assisted Synthesis of 2-Substituted 4-Biarylyl-1,3-thiazoles by Carbon-Carbon Cross-Coupling in Water
  作者：Kamal Dawood、Moteaa El-Deftar

  DOI：10.1055/s-0029-1218662

  日期：2010.3

  Suzuki-Miyaura and Heck-Mizoroki C-C cross-coupling reactions of 4-(halophenyl)-1,3-thiazoles with aryl(hetaryl)boronic acids or olefins, respectively, were investigated by using a catalytically active benzimidazole-based palladium(II) complex under both thermal and microwave heating conditions in water. The factors affecting the optimization of such reactions were evaluated. palladium - homogeneous

  使用具有催化活性的苯并咪唑基钯（II）研究了4-（卤代苯基）-1,3-噻唑与芳基（杂芳基）硼酸或烯烃的Suzuki-Miyaura和Heck-Mizoroki CC交叉偶联反应在水中的热和微波加热条件下都复杂。评估了影响此类反应最优化的因素。 钯-均相催化-杂环-交叉偶联-微波辅助合成
• Synthesis of Some Benzimidazole-based Heterocycles and their Application as Copper Corrosion Inhibitors
  作者：Taha M. A. Eldebss、Ahmad M. Farag、Adel Y. M. Shamy

  DOI：10.1002/jhet.3407

  日期：2019.2

  of new substituted benzimidazoles embedded with a variety of function groups has been synthesized from N‐methyl‐2‐bromoacetylbenzimidazole. The synthesized compounds were fully characterized, and their structures were elucidated based on elemental analysis, spectral data, and alternative synthetic pathways, whenever possible. Some of benzimidazole derivatives were tested as corrosion inhibitors.

  从N-甲基-2-溴乙酰基苯并咪唑合成了一系列嵌入了各种官能团的新取代苯并咪唑。对合成的化合物进行了充分的表征，并在可能的情况下根据元素分析，光谱数据和替代的合成途径阐明了其结构。测试了一些苯并咪唑衍生物作为缓蚀剂。
• Carbonylative Acetylation of Heterocycles
  作者：Youcan Zhang、Zhiping Yin、Xiao-Feng Wu

  DOI：10.1002/ejoc.201901728

  日期：2020.1.16

  A new procedure for the carbonylative acetylation of heterocycles has been developed. In this process, organic peroxide acts as the methyl source, various heterocycles were transformed into the corresponding methyl heterocyclic ketones in moderate to good yields.

  已经开发了杂环羰基乙酰化的新方法。在此过程中，有机过氧化物作为甲基来源，各种杂环以中等至良好的收率转化为相应的甲基杂环酮。
• [EN] ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS MODULATEURS DE LA PYRUVATE KINASE, COMPOSITIONS, UTILISATIONS ET MÉTHODES ASSOCIÉES
  申请人：UNIV BRITISH COLUMBIA

  公开号：WO2012051708A1

  公开（公告）日：2012-04-26

  Compounds having a structure of Formulas A-C are provided. Uses of such compounds as an antibiotic, including both gram-negative and gram-positive micro-organisms, as well as methods of treatment and uses involving such compounds are provided.

  提供了具有A-C式结构的化合物。提供了这些化合物作为抗生素的用途，包括革兰氏阴性和革兰氏阳性微生物，以及涉及这些化合物的治疗方法和用途。