Phenol, 2-methoxy-4-[[(1-methyl-1H-benzimidazol-2-yl)imino]methyl]- | 144836-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Phenol, 2-methoxy-4-[[(1-methyl-1H-benzimidazol-2-yl)imino]methyl]-
• CAS: 144836-18-0
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: UTYHGYHCTNOPSI-UHFFFAOYSA-N

物化性质

• 沸点：
  504.4±60.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.64
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Phenol, 2-methoxy-4-[[(1-methyl-1H-benzimidazol-2-yl)imino]methyl]- 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以77%的产率得到2-Methoxy-4-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
  参考文献：
  名称：

  1-substituted 2-benzylaminobenzimidazole derivatives: compounds with H1-antihistaminic activity

  摘要：

  The preparation of 1-substituted 2-benzylaminobenzimidazole derivatives 13-24 is described. Although these compounds have a different structure from the general structure I of antihistamines, they showed some antihistaminic activity (pA2:5-7) when tested in vitro on guinea pig ileum. The introduction of an additional basic centre as in the Mannich bases 25-27 did not cause any improvement of activity. All the compounds tested proved to be inactive in in vivo induced passive cutaneous anaphylaxis (PCA) and cutaneous vasopermeability in rats.

  DOI：

  10.1016/0223-5234(92)90153-r
• 作为产物：
  描述：

  香草醛 、 2-氨-1-甲基苯咪唑 以 甲苯 为溶剂， 反应 6.0h， 以56%的产率得到Phenol, 2-methoxy-4-[[(1-methyl-1H-benzimidazol-2-yl)imino]methyl]-
  参考文献：
  名称：

  1-substituted 2-benzylaminobenzimidazole derivatives: compounds with H1-antihistaminic activity

  摘要：

  The preparation of 1-substituted 2-benzylaminobenzimidazole derivatives 13-24 is described. Although these compounds have a different structure from the general structure I of antihistamines, they showed some antihistaminic activity (pA2:5-7) when tested in vitro on guinea pig ileum. The introduction of an additional basic centre as in the Mannich bases 25-27 did not cause any improvement of activity. All the compounds tested proved to be inactive in in vivo induced passive cutaneous anaphylaxis (PCA) and cutaneous vasopermeability in rats.

  DOI：

  10.1016/0223-5234(92)90153-r