1-(3,4-dimethoxybenzyl)benzimidazole | 36098-03-0

• 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: 1-(3,4-dimethoxybenzyl)benzimidazole
• 英文别名: 1-(3,4-dimethoxy-benzyl)-1H-benzoimidazole；1-(3,4-Dimethoxybenzyl)benzimidazol；1-[(3,4-Dimethoxyphenyl)methyl]benzimidazole
• CAS: 36098-03-0
• 化学式: C₁₆H₁₆N₂O₂
• 分子量: 268.315
• InChiKey: DHRHZVSHNFHJMS-UHFFFAOYSA-N

物化性质

• 沸点：
  447.3±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,4-dimethoxybenzyl)benzimidazole 以65%的产率得到
  参考文献：
  名称：

  Iddon Brian, Petersen Anders K., Becher Jan, Christensen Nils J., J. Chem. Soc. Perkin Trans. 1, (1995) N 12, S 1475-1481

  摘要：

  DOI：
• 作为产物：
  描述：

  苯并咪唑 、 3,4-二甲氧基苄氯 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以43%的产率得到1-(3,4-dimethoxybenzyl)benzimidazole
  参考文献：
  名称：

  Azoles. Part II. Synthesis of imidazole-2(and -5)-carbaldehydes and derivatives of imidazo[1,2-b]isoquinoline; transmetallation of imidazol-5-yllithium compounds

  摘要：

  The transmetallations of 1-protected 4-bromoimidazol-5-yllithium derivatives have been studied using DMF as the quenching reagent. 4-Bromoimidazole-2-carbaldehydes are usually the major products and not the -5-carbaldehydes as reported previously. Various attempts to prevent or inhibit these transmetallations are described. Cyclisation of 4-bromo(and 4,5-dibromo)-1-(3,4-dimethoxybenzyl)imidazole-2-carbaldehyde and 1-(3,4-dimethoxybenzyl)benzimidazole-2-carbaldehyde in TFA gave the corresponding imidazo- or benzimidazo-[1,2-b]isoquinoline.

  DOI：

  10.1039/p19950001475

文献信息

• Methods and compositions of treating a flaviviridae family viral infection
  申请人：Einav Shirit

  公开号：US20100028299A1

  公开（公告）日：2010-02-04

  Briefly described, embodiments of this disclosure include compounds, pharmaceutical compositions, methods of treating a host infected with a virus from the Flaviviridae family of viruses, methods of inhibiting HCV replication in a host, methods of inhibiting the binding of NS4B polypeptide to the 3′UTR of HCV negative strand RNA in a host, methods of treating liver fibrosis in a host, and the like.

  简要描述，本公开涉及的实施例包括化合物、制药组合物、治疗感染黄病毒科病毒的宿主的方法、抑制宿主中HCV复制的方法、抑制NS4B多肽与HCV负链RNA的3'UTR结合的方法、治疗宿主肝纤维化的方法等。
• Iddon Brian, Petersen Anders K., Becher Jan, Christensen Nils J., J. Chem. Soc. Perkin Trans. 1, (1995) N 12, S 1475-1481
  作者：Iddon Brian, Petersen Anders K., Becher Jan, Christensen Nils J.

  DOI：——

  日期：——
• Azoles. Part II. Synthesis of imidazole-2(and -5)-carbaldehydes and derivatives of imidazo[1,2-b]isoquinoline; transmetallation of imidazol-5-yllithium compounds
  作者：Brian Iddon、Anders K. Petersen、Jan Becher、Nils J. Christensen

  DOI：10.1039/p19950001475

  日期：——

  The transmetallations of 1-protected 4-bromoimidazol-5-yllithium derivatives have been studied using DMF as the quenching reagent. 4-Bromoimidazole-2-carbaldehydes are usually the major products and not the -5-carbaldehydes as reported previously. Various attempts to prevent or inhibit these transmetallations are described. Cyclisation of 4-bromo(and 4,5-dibromo)-1-(3,4-dimethoxybenzyl)imidazole-2-carbaldehyde and 1-(3,4-dimethoxybenzyl)benzimidazole-2-carbaldehyde in TFA gave the corresponding imidazo- or benzimidazo-[1,2-b]isoquinoline.