1,5-bis[4-(1,1-dimethylethyl)phenyl]-1,3,5-pentanetrione | 1048027-56-0

• 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-(1,1-dimethylethyl)phenyl]-1,3,5-pentanetrione
• 英文别名: 1,5-di(4-t-butylphenyl)-1,3,5-pentanetrione；1,5-Bis(4-tert-butylphenyl)pentane-1,3,5-trione
• CAS: 1048027-56-0
• 化学式: C₂₅H₃₀O₃
• 分子量: 378.511
• InChiKey: FTHPLRDSEWRQGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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-(1,1-dimethylethyl)phenyl]-1,3,5-pentanetrione 在 硫酸 作用下， 以71%的产率得到2,6-bis[4-(1,1-dimethylethyl)phenyl]-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：

  对叔丁基苯甲酸甲酯 、 丙酮 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以41%的产率得到1,5-bis[4-(1,1-dimethylethyl)phenyl]-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

• CHARGE CONTROL AGENT AND RELATED ART
  申请人：Kuroda Kazuyoshi

  公开号：US20090053641A1

  公开（公告）日：2009-02-26

  [PROBLEMS] Providing a charge control agent that has a negative charge providing property at a practical level, is colorless to light-colored and usable in color toners, produces static charges stable to environmental changes by electrifying the resin powder of a toner and the like, is excellent in storage stability and durability, and is highly safe, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. [MEANS OF SOLVING THE PROBLEMS] A charge control agent having a compound represented by the formula shown below as the active ingredient, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. X: an oxygen atom or N—H; Each of R 1 to R 4 : a hydrogen atom, a carboxyl group, an aminocarbonyl group having or not having a substituent, an aminocarbonylmethyl group having or not having a substituent, an alkoxycarbonyl group, an alkyl group, a phenyl group having a substituent or not having a substituent, or a group that forms a saturated or unsaturated ring having or not having a substituent in cooperation with any other group selected from among R 1 to R 4 .

  [问题] 提供一种在实际水平上具有负电荷提供特性的充电控制剂，无色至浅色并可用于彩色调色剂，通过电化树脂粉末等产生稳定的静电荷，具有优异的储存稳定性和耐久性，并且非常安全，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 [解决问题的方法] 提供一种具有以下公式所示化合物作为活性成分的充电控制剂，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 X：氧原子或N-H； R1至R4中的每一个：氢原子，羧基，具有或不具有取代基的氨基羰基，具有或不具有取代基的氨基羰基甲基，烷氧羰基，烷基，具有或不具有取代基的苯基，或与R1至R4中选择的任何其他基团相互配合形成饱和或不饱和环的基团。
• CHARGE CONTROL AGENT AND RELATED TECHNIQUE
  申请人：ORIENT CHEMICAL INDUSTRIES, LTD.

  公开号：EP1862860A1

  公开（公告）日：2007-12-05

  [PROBLEMS] Providing a charge control agent that has a negative charge providing property at a practical level, is colorless to light-colored and usable in color toners, produces static charges stable to environmental changes by electrifying the resin powder of a toner and the like, is excellent in storage stability and durability, and is highly safe, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. [MEANS OF SOLVING THE PROBLEMS] A charge control agent having a compound represented by the formula shown below as the active ingredient, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. X : an oxygen atom or N-H; Each of R1 to R4 : a hydrogen atom, a carboxyl group, an aminocarbonyl group having or not having a substituent, an aminocarbonylmethyl group having or not having a substituent, an alkoxycarbonyl group, an alkyl group, a phenyl group having a substituent or not having a substituent, or a group that forms a saturated or unsaturated ring having or not having a substituent in cooperation with any other group selected from among R1 to R4.

  [问题] 提供一种电荷控制剂，该电荷控制剂在实用水平上具有提供负电荷的特性，无色至浅 色，可用于彩色调色剂，通过对调色剂的树脂粉末等通电产生对环境变化稳定的静电荷，储 存稳定性和耐久性优异，安全性高，以及使用该电荷控制剂控制树脂粉末电荷的方法和调色 剂。 [解决问题的方法]一种电荷控制剂，其有效成分为下式所示的化合物，以及一种使用该电荷控制剂控制树脂粉电荷的方法和一种调色剂。 X ：氧原子或 N-H； R1 至 R4 中的每一个：氢原子、羧基、具有或不具有取代基的氨基羰基、具有或不 具有取代基的氨基羰甲基、烷氧基羰基、烷基、具有或不具有取代基的苯基、或与选 自 R1 至 R4 的任何其他基团配合形成具有或不具有取代基的饱和或不饱和环的基团。
• 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.