(E)-4-(4-甲氧基苯乙烯基)苯甲酸乙酯 | 67205-75-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: (E)-4-(4-甲氧基苯乙烯基)苯甲酸乙酯
• 英文名称: (E)-ethyl 4-(4-methoxystyryl)benzoate
• 英文别名: ethyl 4-(4-methoxystyryl)benzoate；ethyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate
• CAS: 67205-75-8
• 化学式: C₁₈H₁₈O₃
• 分子量: 282.339
• InChiKey: HRIRKJALIKOKNO-SNAWJCMRSA-N

物化性质

• 熔点：
  142-144 °C(Solv: ethanol (64-17-5))
• 沸点：
  432.2±24.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-4-(4-甲氧基苯乙烯基)苯甲酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-[4-(4-methoxystyryl)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
• 作为产物：
  描述：

  (E)-4-bromo-4'-methoxystilbene 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (E)-4-(4-甲氧基苯乙烯基)苯甲酸乙酯
  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

• Mizoroki–Heck reactions catalyzed by palladium dichloro-bis(aminophosphine) complexes under mild reaction conditions. The importance of ligand composition on the catalytic activity
  作者：Miriam Oberholzer、Christian M. Frech

  DOI：10.1039/c3gc40493e

  日期：——

  Dichloro-bis(aminophosphine) complexes of palladium with the general formula [(P(NC5H10)3−n(C6H11)n})2Pd(Cl)2] (where n = 0–2) are easily accessible, cheap and air stable, highly active and universally applicable C–C cross-coupling catalysts, which exhibit an excellent functional group tolerance. The ligand composition of amine-substituted phosphines (controlled by the number of P–N bonds) was found

  通式为[[P （NC 5 H 10）3- n（C 6 H 11）n }）2 Pd（Cl）2 ]的钯的二氯双（氨基膦）配合物（其中n = 0–2）易于获得，价格低廉且空气稳定，高度活跃且通用的C–C交叉耦合催化剂，具有出色的官能团耐受性。这配体 组成 胺取代的 膦类 （受P–N键的数量控制）被发现可以有效地确定其在Heck反应中的催化活性，为此 纳米粒子被证明是它们的催化活性形式。二氯bis [bis [1,1'，1''-（膦三基）三哌啶]]钯（1）质子）在[（P （NC 5 H 10）3- n（C 6 H 11）n }）2 Pd（Cl）2 ]（其中n = 0–3）系列中，是一个高活性的Heck催化剂 在100°C的温度下，因此是有效且通用的Heck的罕见例子 催化剂可以在温和的反应条件下（100°C或更低）有效运行，对于二氯-双（1,1'-（环己基膦基二基）二哌啶）钯（2，n = 1
• Chemically-induced geometrical isomerization of stilbenes during peroxyoxalate chemiluminescence reaction: revisit to ‘photochemistry without light’
  作者：Jiro Motoyoshiya、Kanako Watanabe、Airi Takizawa、Hikaru Shimizu、Takayuki Maruyama

  DOI：10.1016/j.tetlet.2013.11.094

  日期：2014.1

  The chemically-induced isomerization of stilbenes during the peroxyoxalate chemiluminescence (PO-CL) reactions was reinvestigated. The PO-CL reactions using bis(2,4,6-trichlorophenyl) oxalate in the presence of several stilbenes (type A reaction) produced cis-stilbenes in 0–4% yields, which was dependent on the singlet excitation energy of the stilbenes. On the other hand, the PO-CL reactions of the

  重新研究了过氧草酸酯化学发光（PO-CL）反应过程中斯蒂苯酯的化学诱导异构化。在有几种对苯二酚存在的情况下，使用草酸双（2,4,6-三氯苯基）草酸酯进行PO-CL反应（A型反应）可产生顺式-对苯二酚，产率为0％至4％，这取决于对苯二酚的单重激发能。另一方面，草酸盐的PO-CL反应（在分子中包含二苯乙烯基部分）（B型反应）产生顺式-对苯二酚的产率为0-9.3％，考虑到其中的一些比A型反应更有效草酸盐部分作为能量供应者的量。
• Heck Couplings at Room Temperature in Nanometer Aqueous Micelles
  作者：Bruce H. Lipshutz、Benjamin R. Taft

  DOI：10.1021/ol702755g

  日期：2008.4.1

  or the vitamin E-based PTS, both of which form nanomicelles in water, promotes Heck cross-couplings of non-water-soluble partners at ambient temperatures. These are the first examples of Heck reactions conducted in water (as the only solvent) at room temperature.

  非离子两亲物（例如Triton X-100或基于维生素E的PTS）在水中均会形成纳米胶束，在环境温度下会促进非水溶性伴侣的Heck交叉偶联。这些是室温下在水（作为唯一的溶剂）中进行的Heck反应的第一个例子。
• 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。
• DIANA G. D.; CARABATEAS P. M.; JOHNSON R. E.; WILLIAMS G. L.; PANCIC F.; +, J. MED. CHEM., 1978, 21, NO 9, 889-894
  作者：DIANA G. D.、 CARABATEAS P. M.、 JOHNSON R. E.、 WILLIAMS G. L.、 PANCIC F.、 +

  DOI：——

  日期：——