1-{4-[(1E,3E)-4-(4-Acetyl-phenyl)-buta-1,3-dienyl]-phenyl}-ethanone | 89510-56-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{4-[(1E,3E)-4-(4-Acetyl-phenyl)-buta-1,3-dienyl]-phenyl}-ethanone
• 英文别名: 1,4-Bis(4-acetylphenyl)-1,3-butadiene；1-[4-[(1E,3E)-4-(4-acetylphenyl)buta-1,3-dienyl]phenyl]ethanone
• CAS: 89510-56-5
• 化学式: C₂₀H₁₈O₂
• 分子量: 290.362
• InChiKey: NCAPKGOGEINNBR-GGWOSOGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-{4-[(E)-2-(Dimethyl-pyridin-2-yl-silanyl)-vinyl]-phenyl}-ethanone 在 copper(l) iodide 、 cesium fluoride 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以47%的产率得到1-{4-[(1E,3E)-4-(4-Acetyl-phenyl)-buta-1,3-dienyl]-phenyl}-ethanone
  参考文献：
  名称：

  Stereoselective Synthesis of Multisubstituted Butadienes through Directed Mizoroki−Heck Reaction and Homocoupling Reaction of Vinyl(2-pyridyl)silane

  摘要：

  We have developed the homocoupling reaction of alkenyl(2-pyridyl)silanes mediated by Cul and CsF, in which the strong directing effect of the 2-pyridyl group was observed. The homocoupling reaction was successfully integrated with the Mizoroki-Heck reaction of vinyl(2-pyridyl)silane with aryl halides, enabling a rapid and stereoselective synthesis of multisubstituted butadienes. From a relatively small compound library, it was possible to detect a number of fluorescent butadienes with a wide range of fluorescence color variations (blue to reddish-orange).

  DOI：

  10.1021/ol048620i

文献信息

• Palladium-catalyzed syntheses of aryl polyenes
  作者：Takiaki Mitsudo、William Fischetti、Richard F. Heck

  DOI：10.1021/jo00183a029

  日期：1984.5
• MITSUDO, TAKI-AKI;FISCHETTI, W.;HECK, R. F., J. ORG. CHEM., 1984, 49, N 9, 1640-1646
  作者：MITSUDO, TAKI-AKI、FISCHETTI, W.、HECK, R. F.

  DOI：——

  日期：——
• [EN] METHOD FOR SCREENING FOR INHIBITORS OF ALZHEIMER'S DISEASE<br/>[FR] METHODE D'IDENTIFICATION D'INHIBITEURS DE LA MALADIE D'ALZHEIMER
  申请人：PRANA BIOTECHNOLOGY LTD

  公开号：WO2002048898A1

  公开（公告）日：2002-06-20

  This invention relates to compounds which have the ability to act as agonists for the binding of divalent copper ions to amyloid precursor protein (APP) and to methods of identifying such compounds by using the three-dimensional structure of the copper-binding domain of APP.