4-[4-(4-methoxyphenethyl)benzyl]heptane-3,5-dione | 67206-05-7

• 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: 4-[4-(4-methoxyphenethyl)benzyl]heptane-3,5-dione
• 英文别名: 4-<4-(4-Methoxy-β-phenylethyl)benzyl>heptan-3,5-dion；4-[4-(4-Methoxy-β-phenylethyl)benzyl]heptan-3,5-dion；4-[[4-[2-(4-Methoxyphenyl)ethyl]phenyl]methyl]heptane-3,5-dione
• CAS: 67206-05-7
• 化学式: C₂₃H₂₈O₃
• 分子量: 352.474
• InChiKey: USKDWMYXLIMPLM-UHFFFAOYSA-N

物化性质

• 沸点：
  469.0±40.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (E)-4-氰基-4'-甲氧基芪 在 palladium on activated charcoal 盐酸 、 lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 4-[4-(4-methoxyphenethyl)benzyl]heptane-3,5-dione
  参考文献：
  名称：

  Antiviral activity of some .beta.-diketones. 4. Benzyl diketones. In vitro activity against both RNA and DNA viruses

  摘要：

  The synthesis and in vitro antiviral evaluation of a series of substituted benzyl beta-diketones are described. The introduction of a styryl group onto the phenyl ring enhanced activity against herpesvirus type 2. The 4-methoxystyryl homologue 8 was evaluated extensively in vitro and was found to be effective against both RNA and DNA viruses. Compound 8 was evaluated in the mouse vagina against herpes simplex type 1 and produced a significant increase in survival rate as well as in survival time.

  DOI：

  10.1021/jm00207a010

文献信息

• Aromatic diketones
  申请人：Sterling Drug Inc.

  公开号：US04153719A1

  公开（公告）日：1979-05-08

  Beta-diketones substituted by an aryl-aliphatic group in which the aliphatic chain is interrupted by a cyclic group, and useful as anti-viral agents, are prepared by interacting the appropriate aryl-aliphatic halide with an alkali metal salt of a beta-diketone.

  通过将适当的芳基-脂肪基卤化物与β-二酮的碱金属盐相互作用，制备了由芳基-脂肪基替代的β-二酮，其中脂肪链被一个环状基团中断，并且这些化合物可用作抗病毒剂。
• US4153719A
  申请人：——

  公开号：US4153719A

  公开（公告）日：1979-05-08
• Antiviral activity of some .beta.-diketones. 4. Benzyl diketones. In vitro activity against both RNA and DNA viruses
  作者：G. D. Diana、Philip M. Carabateas、Robert E. Johnson、Gordon L. Williams、Francis Pancic、Joseph C. Collins

  DOI：10.1021/jm00207a010

  日期：1978.9

  The synthesis and in vitro antiviral evaluation of a series of substituted benzyl beta-diketones are described. The introduction of a styryl group onto the phenyl ring enhanced activity against herpesvirus type 2. The 4-methoxystyryl homologue 8 was evaluated extensively in vitro and was found to be effective against both RNA and DNA viruses. Compound 8 was evaluated in the mouse vagina against herpes simplex type 1 and produced a significant increase in survival rate as well as in survival time.