1-甲基-2-(5'-甲基-2'-呋喃基)苯并咪唑 | 78706-13-5

• 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-甲基-2-(5'-甲基-2'-呋喃基)苯并咪唑
• 英文名称: 1-methyl-2-(5'-methyl-2'-furyl)benzimidazole
• 英文别名: 1-Methyl-2-(5-methyl-furan-2-yl)-1H-benzoimidazole；1-methyl-2-(5-methylfuran-2-yl)benzimidazole
• CAS: 78706-13-5
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: MBTPAVDRBHQQTE-UHFFFAOYSA-N

物化性质

• 熔点：
  85-86 °C(Solv: ethanol (64-17-5))
• 沸点：
  377.9±44.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-2-(5'-甲基-2'-呋喃基)苯并咪唑 在 potassium dichromate 、 selenium(IV) oxide 、 硫酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 1-甲基苯并咪唑
  参考文献：
  名称：

  Oxidation products of fused 2-hetarylimidazole derivatives

  摘要：

  Oxidation of 5-(1-methyl-1H-benzimidazol-2-yl)thiophene-, and -selenophene-2-carbaldehydes with potassium dichromate in 20% aqueous sulfuric acid afforded the corresponding carboxylic acids. Analogous reaction with 5-(1-methyl-1H-benzimidazol-2-yl)furan-2-carbaldehyde led to the formation of 1-methyl-1H-benzimidazole as a result of decarboxylation of the primary oxidation product and subsequent decomposition of the furan ring. Probable factors responsible for instability of 5-(1H-benzimidazol-2-yl)-hetarene-2-carboxylic acids were considered. The oxidation of 2-furylnaphtho[2,3-d]- and 2-hetarylphenanthro-[9,10-d]imidazoles gave, respectively, an anthraquinone analog and 6,7-quinones. pi-Electron-rich heterocycles in 2-furyl- and 2-pyrrolylphenanthro[9,10-d]imidazoles were oxidized completely, being replaced by hydrogen.

  DOI：

  10.1134/s1070363211080226
• 作为产物：
  描述：

  (9ci)-2-(5-甲基-2-呋喃)-1H-苯并咪唑 以100%的产率得到
  参考文献：
  名称：

  ELCHANIPOV M. M.; SIMONOV A. M.; KOSENKO V. P.; OLEJNIKOVA L. YA., XIMIYA GETEROTSIKL. SOEDIN., 1981, HO 4, 520-523

  摘要：

  DOI：

文献信息

• BENZIMIDAZOLE COMPOUNDS AND THEIR APPLICATION IN CARDIOVASCULAR DISEASES
  申请人：National Taiwan University

  公开号：US20170152245A1

  公开（公告）日：2017-06-01

  The present invention provides substituted benzimidazoles, pharmaceutical composition comprising the substituted benzimidazoles, and their use for preventing or treating a subject suffering from diseases or conditions associated with platelet activation aggregation and/or platelet activation.

  本发明提供了取代苯并咪唑，包括取代苯并咪唑的药物组合物，并用于预防或治疗因血小板活化、聚集和/或血小板活化引起的疾病或症状的受试者。
• Synthesis of aldehydes and ketones of 1-methyl-2-(5-methyl-2-hetaryl)-1H-benzimidazole series
  作者：M. M. El’chaninov、A. A. Aleksandrov、I. M. El’chaninov

  DOI：10.1134/s107036321504012x

  日期：2015.4

  1-Methyl-2-(5-methyl-2-furyl)-1H- and 1-methyl-2-(5-methyl-2-thienyl)-1H-benzimidazoles were synthesized by Weidenhagen reaction followed by N-methylation. The obtained 1H-benzimidazoles were formylated with hexamethylenetetramine in polyphosphoric acid and acylated with carboxylic acids in polyphosphoric acid.
• Research on the chemistry of 2-hetarylbenzimidazoles. 4. Oxidation of 1-methyl-2-(5?-methyl-2?-hetaryl)benzimidazoles
  作者：M. M. El'chaninov、A. M. Simonov、B. Ya. Simkin

  DOI：10.1007/bf00506590

  日期：1982.8
• ELCHANINOV, M. M.;SIMONOV, A. M.;SIMKIN, B. YA., XIMIYA GETEROTSIKL. SOEDIN., 1982, N 8, 1089-1091
  作者：ELCHANINOV, M. M.、SIMONOV, A. M.、SIMKIN, B. YA.

  DOI：——

  日期：——
• Research on the chemistry of 2-hetarylbenzimidazole. 3. Reaction of 1-methyl-2-(5?-methyl-2?-hetaryl) benzimidazoles with electrophilic reagents
  作者：M. M. El'chaninov、A. M. Simonov、V. P. Kosenko、L. Ya. Oleinikova

  DOI：10.1007/bf00503342

  日期：1981.4