2-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanol | 153529-25-0

• 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: 2-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanol
• 英文别名: 2-(4-Fluorophenyl)-1-(4-methoxyphenyl)ethanol
• CAS: 153529-25-0
• 化学式: C₁₅H₁₅FO₂
• mdl: MFCD12605235
• 分子量: 246.281
• InChiKey: CWFLUJXMEVTXGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  358.6±37.0 °C(predicted)
• 密度：
  1.176±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  双(咪唑-1-基)亚砜 、 2-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanol 以 乙腈 为溶剂， 反应 2.5h， 以44%的产率得到1-[2-(4-Fluorophenyl)-1-(4-methoxyphenyl)ethyl]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
• 作为产物：
  描述：

  对氟苯乙酰氯 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanol
  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

• Interfacial tuning of electrocatalytic Ag surfaces for fragment-based electrophile coupling
  作者：Qiu-Cheng Chen、Sarah Kress、Rocco Molinelli、Anna Wuttig

  DOI：10.1038/s41929-023-01073-5

  日期：——

  of C‒C bonds in medicinal chemistry frequently draws on the reductive coupling of organic halides with ketones or aldehydes. Catalytic C(sp3)‒C(sp3) bond formation, however, is constrained by the competitive side reactivity of radical intermediates following sp3 organic halide activation. Here, an alternative model deploys catalytic Ag surfaces for reductive fragment-based electrophile coupling compatible

  药物化学中 C-C 键的构建经常利用有机卤化物与酮或醛的还原偶联。然而，催化C( sp 3 )−C( sp 3 ) 键的形成受到sp 3有机卤化物活化后自由基中间体的竞争性副反应性的限制。在这里，另一种模型部署了催化 Ag 表面，用于与sp 3有机卤化物兼容的基于还原片段的亲电子偶联。我们利用原位光谱、电化学分析和模拟来揭示催化界面结构并指导反应发展。具体来说，Mg(OAc) 2胜过Ag和醛之间的相互作用，从而调节Ag表面以选择性形成产物。数据与镁结合醛的数量增加一致，促进以碳为中心的自由基（银电催化有机卤化物还原的产物）加成到羰基上。电子从Ag转移到所得烷氧基产生所需的醇。可重复使用催化电极的分子界面调节将加速可持续有机合成方法的发展。
• 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.