1,5-bis(4-bromophenyl)-1,3,5-pentanetrione | 959071-59-1

• 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-bromophenyl)-1,3,5-pentanetrione
• 英文别名: 1,3,5-Pentanetrione, 1,5-bis[p-bromophenyl]-；1,5-bis(4-bromophenyl)pentane-1,3,5-trione
• CAS: 959071-59-1
• 化学式: C₁₇H₁₂Br₂O₃
• 分子量: 424.088
• InChiKey: MUZHWECYTFBTPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,5-bis(4-bromophenyl)-1,3,5-pentanetrione 在 硫酸 作用下， 以75%的产率得到2,6-bis(4-bromophenyl)-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：

  对溴苯甲酸甲酯 、 丙酮 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以63%的产率得到1,5-bis(4-bromophenyl)-1,3,5-pentanetrione
  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

文献信息

• New Strong Base Synthesis of Symmetrical 1,5-Diaryl-1,3,5-pentanetriones from Acetone and Benzoate Esters
  作者：John D. Knight、Clyde R. Metz、Charles F. Beam、William T. Pennington、Donald G. VanDerveer

  DOI：10.1080/00397910802138488

  日期：2008.6.27

  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.