4-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid methyl ester

• 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: 4-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid methyl ester
• 英文别名: Methyl 4-[(2-methylimidazol-1-yl)methyl]benzoate
• 化学式: C₁₃H₁₄N₂O₂
• mdl: MFCD07188962
• 分子量: 230.266
• InChiKey: YHETXFIBOZUBQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid methyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以45%的产率得到4-(2-甲基-1H-咪唑-1-基)甲基苯甲酸
  参考文献：
  名称：

  New serine protease inhibitors with leukotriene B4 (LTB4) receptor binding affinity

  摘要：

  A series of new trypsin-like serine protease inhibitors, 1, 2 and 7-23, containing amidinobenzene moiety was found to show potent LTB4-receptor affinity. Among them, compounds 1 and 2 were found to be LTB4 receptor antagonists based on an inhibition assay of human polymorphonuclear neutrophil (PMN) intracellular calcium mobilization induced by LTB4. Compounds 1 and 2, which satisfy the reported structural requirements for good oral activity, are expected to show a balanced dual mode of action, i.e., protease inhibitory activity and LTB4 receptor antagonist activity, in vivo. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00036-9

文献信息

• Low-cost and high-performance acetylglucose-based imidazolium salts for copper-catalyzed cyclization of propargylic amines and CO ₂
  作者：Xian-Jin Zhang、Ling-Fang Kong、Xue Lu、Yu-Ling Liu、Yan Hu、Hui-Wen Gong、Yun-Jia Li、Zhong-Gao Zhou

  DOI：10.1080/07328303.2024.2324391

  日期：2023.7.24