1,5-bis(4-methoxyphenyl)-1,3,5-pentanetrione | 1469-93-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-bis(4-methoxyphenyl)-1,3,5-pentanetrione
• 英文别名: 1,5-Bis-(p-methoxy-phenyl)-pentan-1,3,5-trion；1,5-Bis-(p-methoxyphenyl)-1,3,5-trioxo-pentan；1,5-Bis(4-methoxyphenyl)pentane-1,3,5-trione
• CAS: 1469-93-8
• 化学式: C₁₉H₁₈O₅
• 分子量: 326.349
• InChiKey: JSLZWQUEJWUYJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,5-bis(4-methoxyphenyl)-1,3,5-pentanetrione 在 硫酸 作用下， 以83%的产率得到2,6-bis(4-methoxyphenyl)-4H-pyran-4-one
  参考文献：
  名称：

  New Strong Base Synthesis of Symmetrical 1,5-Diaryl-1,3,5-pentanetriones from Acetone and Benzoate Esters

  摘要：

  Lithium hexamethyldisilazide (LiHMDS) was used to condense substituted benzoate esters with acetone to afford symmetrical 1,5-diaryl-1,3,5-pentanetriones that were isolated, characterized (including a representative X-ray crystallographic analysis), and acid cyclized to the respective 2,6-diaryl-4H-pyran-4-ones.

  DOI：

  10.1080/00397910802138488
• 作为产物：
  描述：

  过氧化氢酶 在 盐酸 、 sodium hydride 、 potassium carbonate 、 potassium iodide 作用下， 以 乙二醇二甲醚 、 丙酮 、 mineral oil 为溶剂， 反应 24.0h， 生成 1,5-bis(4-methoxyphenyl)-1,3,5-pentanetrione
  参考文献：
  名称：

  Triketonate difluoroboron complexes. Substitution-dependent liquid crystal and photophysical properties

  摘要：

  Novel alkyloxyphenyl-substituted beta,delta-triketonate difluoroboron complexes have been efficiently synthesised and thoroughly characterised. Significant features such as liquid crystal behaviour and solid and solution fluorescence are observed in all cases. The mesomorphism was determined by the presence of one, two or three alkyl chains in each substituent aromatic group of the triketonate ligand. So, smectic C mesophases were found for compounds carrying two lateral chains, each of thein located at one of each phenyl substituent, while the presence of four or six chains at the whole molecule gave rise to smectic A or discotic lamellar and hexagonal columnar mesophases, respectively. Fluorescence in the solid state and in solution is again proved to be dependent on the ligand substitution as well as to be maintained in the mesophase. These multifunctional materials also present luminescent sensor activity towards Hg2+ and Cu2+. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2015.10.029

文献信息

• Preparation, characterization and reactivity of vanadyl(IV) and uranyl(VI) complexes with β,δ-triketones and ketophenols
  作者：P.A. Vigato、U. Casellato、S. Tamburini、M. Vidali、F. Milani、M.M. Musiani

  DOI：10.1016/s0020-1693(00)89123-9

  日期：1982.1

  Some β,δ-triketones and β-diketophenols have been prepared and characterized. A series of mononuclear oxovanadium(IV) adducts with these ligands have been isolated and characterized. All these mononuclear complexes have a free coordination set and may act as ligands towards a second metal ion. The syntheses of dinuclear complexes using the mononuclear ones as ligands are reported. Their stereochemistry

  已经制备并表征了一些β，δ-三酮和β-二酮酚。具有这些配体的一系列单核氧钒（IV）加合物已被分离和表征。所有这些单核络合物都有一个自由配位基团，可以作为第二种金属离子的配体。报道了使用单核化合物作为配体的双核化合物的合成。根据红外，紫外和磁性数据讨论了它们的立体化学。测试了单核和双核配合物作为乙烯-丙烯共聚催化剂。
• Comparison between d1-d1 and d9-d9 magnetic exchange in binuclear vanadyl and copper(II) 1,3,5-triketonates. Crystal and molecular structure of Cu2(DANA)2(py)2
  作者：Mary Jane Heeg、J. L. Mack、M. D. Glick、R. L. Lintvedt

  DOI：10.1021/ic50217a040

  日期：1981.3
• LACAN M.; SUSNIK-RYBARSKI I.; STEFANAC Z.; RADMAN V., GLASNIK XEM. DRUSHT. BEOGRAD <GNDV-AX>, 1974, 39, NO 5-6, 385-393
  作者：LACAN M.、 SUSNIK-RYBARSKI I.、 STEFANAC Z.、 RADMAN V.

  DOI：——

  日期：——
• SKARE D.; LACAN M.; MEIC Z., CROAT. CHEM. ACTA <CCAC-AA>, 1975, 47, NO 2, 135-143
  作者：SKARE D.、 LACAN M.、 MEIC Z.

  DOI：——

  日期：——
• GRINS G.; WATSON W. H., REV. LATINOAMER. QUIM., 1976, 7, NO 1, 31-33
  作者：GRINS G.、 WATSON W. H.

  DOI：——

  日期：——