1-[1-(4-Methoxy-phenyl)-2-(2-nitro-phenyl)-ethyl]-1H-imidazole | 153529-05-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-[1-(4-Methoxy-phenyl)-2-(2-nitro-phenyl)-ethyl]-1H-imidazole
• 英文别名: 1-[1-(4-Methoxyphenyl)-2-(2-nitrophenyl)ethyl]imidazole
• CAS: 153529-05-6
• 化学式: C₁₈H₁₇N₃O₃
• 分子量: 323.351
• InChiKey: CMIQDOUQIJUFFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[1-(4-Methoxy-phenyl)-2-(2-nitro-phenyl)-ethyl]-1H-imidazole 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 45.0 ℃ 、405.3 kPa 条件下， 反应 2.0h， 以76%的产率得到2-[2-Imidazol-1-yl-2-(4-methoxy-phenyl)-ethyl]-phenylamine
  参考文献：
  名称：

  Antifungal agents. 5. Chloro and amino derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane with potent antifungal activities

  摘要：

  Various derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane have been synthesized and tested against Candida albicans and Candida spp. In vitro essays showed chloro and amino derivatives to be as active as miconazole and bifonazole and more potent than ketoconazole. Structure-activity relationships of the new imidazole antifungal agents are discussed.

  DOI：

  10.1016/0223-5234(93)90031-9
• 作为产物：
  描述：

  1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethan-1-one 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 31.33h， 生成 1-[1-(4-Methoxy-phenyl)-2-(2-nitro-phenyl)-ethyl]-1H-imidazole
  参考文献：
  名称：

  Antifungal agents. 5. Chloro and amino derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane with potent antifungal activities

  摘要：

  Various derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane have been synthesized and tested against Candida albicans and Candida spp. In vitro essays showed chloro and amino derivatives to be as active as miconazole and bifonazole and more potent than ketoconazole. Structure-activity relationships of the new imidazole antifungal agents are discussed.

  DOI：

  10.1016/0223-5234(93)90031-9

文献信息

• Antifungal agents. 5. Chloro and amino derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane with potent antifungal activities
  作者：M Artico、S Massa、R Di Santo、R Costi、A Retico、G Apuzzo、N Simonetti

  DOI：10.1016/0223-5234(93)90031-9

  日期：1993.1

  Various derivatives of 1,2-diaryl-1-(1H-imidazol-1-yl)ethane have been synthesized and tested against Candida albicans and Candida spp. In vitro essays showed chloro and amino derivatives to be as active as miconazole and bifonazole and more potent than ketoconazole. Structure-activity relationships of the new imidazole antifungal agents are discussed.