1-(4-fluorophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)propan-1-one | 127035-99-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(4-fluorophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)propan-1-one
• 英文别名: 1-(4-Fluoro-phenyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)-propan-1-one
• CAS: 127035-99-8
• 化学式: C₁₇H₁₇FO₂
• 分子量: 272.319
• InChiKey: CPBZSJDPRVABJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-二甲基-4-羟基苯甲醛 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、275.79 kPa 条件下， 反应 20.0h， 生成 1-(4-fluorophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)propan-1-one
  参考文献：
  名称：

  Effect of structure on potency and selectivity in 2,6-disubstituted-4-(2-arylethenyl)phenol lipoxygenase inhibitors

  摘要：

  A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,6-di-tert-butyl-4-[2-(3-pyridyl)ethenyl]phenol (BI-L-93 BS). The potency and selectivity for 5-LO inhibition is greatly influenced by the nature of the substituents in the 2- and 6-positions. Other structure-activity relationships that determine relative 5-LO and CO potency are discussed. In vivo activity against antigen-induced leukotriene-mediated bronchoconstriction and cell influx in guinea pigs is presented. Representatives of the series are active when administered at 30 mg/kg ip.

  DOI：

  10.1021/jm00169a010

文献信息

• Electrochemical decarboxylative alkylation of β-ketoacids with phenol derivatives
  作者：Shan Wang、Zhaotian Wu、Junqiang Li、Yujun Zhu、Shaojun Zheng、Chunhui Jiang、Hongfei Lu

  DOI：10.1039/d3cc05489f

  日期：——

  An electrochemical method for the decarboxylative alkylation of β-ketoacids with phenol derivatives has been developed. The protocol was carried out in readily available unseparated cells at room temperature in the absence of catalysts and oxidants. The corresponding aryl ketones were obtained in satisfactory yields without additional electrolytes, and were easy to produce in gram-scale synthesis.

  开发了一种用苯酚衍生物对 β-酮酸进行脱羧烷基化的电化学方法。该方案是在室温下、在没有催化剂和氧化剂的情况下在容易获得的未分离的电池中进行的。无需额外电解质即可以令人满意的产率获得相应的芳基酮，并且易于在克级合成中生产。基于控制实验和循环伏安法，提出了一种合理的反应机理。
• LAZER, EDWARD S.;WONG, HIN-CHOR;WEGNER, GRAIG D.;GRAHAM, ANNE G.;FARINA, +, J. MED. CHEM., 33,(1990) N, C. 1892-1898
  作者：LAZER, EDWARD S.、WONG, HIN-CHOR、WEGNER, GRAIG D.、GRAHAM, ANNE G.、FARINA, +

  DOI：——

  日期：——