1-(benzofuran-2-yl)-4,4,4-trifluorobutan-1,3-dione | 327-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1-(benzofuran-2-yl)-4,4,4-trifluorobutan-1,3-dione
• 英文别名: 2-(4,4,4-trifluoro-1,3-dioxobutyl)benzofuran；1-benzofuran-2-yl-4,4,4-trifluoro-butane-1,3-dione；1-Benzofuran-2-yl-4,4,4-trifluor-butan-1,3-dion；1-(1-benzofuran-2-yl)-4,4,4-trifluorobutane-1,3-dione
• CAS: 327-24-2
• 化学式: C₁₂H₇F₃O₃
• mdl: MFCD11523445
• 分子量: 256.181
• InChiKey: YESCVJOGSAMICZ-UHFFFAOYSA-N

物化性质

• 沸点：
  308.9±37.0 °C(Predicted)
• 密度：
  1.389±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(benzofuran-2-yl)-4,4,4-trifluorobutan-1,3-dione 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 乙醚 为溶剂， 生成 (E)-1-(benzofuran-2-yl)-3-[(2-hydroxyethyl)amino]-4,4,4-trifluorobut-2-ene-1-one
  参考文献：
  名称：

  Selective Synthesis of Fluorine-Containing Enaminones of Benzofuran Series

  摘要：

  DOI：

  10.1134/s1070363222020086
• 作为产物：
  描述：

  2-乙酰基苯并呋喃 在 乙醚 、 三氟乙酸乙酯 、 sodium methylate 作用下， 生成 1-(benzofuran-2-yl)-4,4,4-trifluorobutan-1,3-dione
  参考文献：
  名称：

  The Synthesis of Certain Beta-Diketones Containing Perfluoromethyl and Perfluoro-n-propyl Groups

  摘要：

  DOI：

  10.1021/ja01154a037

文献信息

• [EN] LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF<br/>[FR] CHÉLATES DE LANTHANIDE(III) COMPRENANT DES BÊTA-DICÉTONES ET CONJUGUÉS ISSUS DE CEUX-CI
  申请人：WALLAC OY

  公开号：WO2009115644A1

  公开（公告）日：2009-09-24

  This invention relates to luminescent lanthanide(III) chelates based on β-diketones comprising an azacycloalkane backbone and biomolecule conjugates and solid supports comprising these chelates. In contrast to lanthanide chelates based on monomeric β-diketones as well as lanthanide(III) chelates based on acyclic azaalkanes including several β-diketone subunits, the molecules of the present technology are luminescent even in the absence of additional chelators such as phosphine oxides.

  这项发明涉及基于β-二酮的含有氮杂环烷骨架的镧系(III)螯合物，以及包含这些螯合物的生物分子共轭物和固体支持物。与基于单体β-二酮的镧系螯合物以及基于包含几个β-二酮亚基的无环氮杂烷的镧系(III)螯合物相比，本技术的分子即使在缺乏磷氧化物等额外螯合剂的情况下也具有发光性。
• Synthesis and Biological Evaluation of the 1,5-Diarylpyrazole Class of Cyclooxygenase-2 Inhibitors:  Identification of 4-[5-(4-Methylphenyl)-3- (trifluoromethyl)-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide (SC-58635, Celecoxib)
  作者：Thomas D. Penning、John J. Talley、Stephen R. Bertenshaw、Jeffery S. Carter、Paul W. Collins、Stephen Docter、Matthew J. Graneto、Len F. Lee、James W. Malecha、Julie M. Miyashiro、Roland S. Rogers、D. J. Rogier、Stella S. Yu、Gary D. Anderson、Earl G. Burton、J. Nita Cogburn、Susan A. Gregory、Carol M. Koboldt、William E. Perkins、Karen Seibert、Amy W. Veenhuizen、Yan Y. Zhang、Peter C. Isakson

  DOI：10.1021/jm960803q

  日期：1997.4.1

  A series of sulfonamide-containing 1,5-diarylpyrazole derivatives were prepared and evaluated for their ability to block cyclooxygenase-2 (COX-2) in vitro and in vivo. Extensive structure-activity relationship (SAR) work was carried out within this series, and a number of potent and selective inhibitors of COX-2 were identified. Since an early structural lead (1f, SC-236) exhibited an unacceptably long plasma half-life, a number of pyrazole analogs containing potential metabolic sites were evaluated further in vivo in an effort to identify compounds with acceptable pharmacokinetic profiles. This work led to the identification of ii (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide, SC-58635, celecoxib), which is currently in phase III clinical trials for the treatment of rheumatoid arthritis and osteoarthritis.
• Synthesis and luminescence-spectral properties of benzoheterocyclic β-diketones and their complexes with europium
  作者：T. S. Kostryukova、N. P. Ivanovskaya、A. I. Lyamin、D. V. Romanov、N. S. Osin、G. V. Zatonsky、N. V. Vasil’ev

  DOI：10.1134/s1070363212030152

  日期：2012.3

  In order to solve some environmental and biomedical problems, we synthesized fluorinated heterocyclic beta-diketones and estimated the luminescence-spectral properties of these compounds complexes with the ions of rare-earth elements as the possible reagents for immunofluorescence analysis.
• Light emitting device and lighting device using it, image display unit
  申请人：Yabe Akiko

  公开号：US20070132366A1

  公开（公告）日：2007-06-14

  An object of the present invention is to provide a light emitting device which is high in emission intensity and stable, that is to say, a light emitting device in which when an LED or LD having an emission peak at 380 nm to 410 nm is used as an excitation light source of the light emitting device, the emission intensity of a red phosphor does not largely change to some deviation of the emission wavelength of the LED or LD to maintain not only brightness but also a balance at the time when mixed with a blue and green phosphors. The present invention relates to a light emitting device characterized in that the device comprises a phosphor which has Eu 3+ as a luminescent center ion, in which a minimum emission intensity within the excitation wavelength range of 380 nm to 410 nm in an excitation spectrum is 65% or more of a maximum emission intensity, and which has an emission efficiency at 400 nm of 20% or more, and a semiconductor light emitting element which emits light in the region from near-ultraviolet light to visible light.
• The Synthesis of Certain Beta-Diketones Containing Perfluoromethyl and Perfluoro-n-propyl Groups
  作者：Lloyd B. Barkley、Robert Levine

  DOI：10.1021/ja01154a037

  日期：1951.10