Bis<2-(acetyloxy)-3,5-bis-(1,1-dimetylethyl)phenyl>methanone | 143445-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Bis<2-(acetyloxy)-3,5-bis-(1,1-dimetylethyl)phenyl>methanone
• 英文别名: Methanone, bis[2-(acetyloxy)-3,5-bis(1,1-dimethylethyl)phenyl]-；[2-(2-acetyloxy-3,5-ditert-butylbenzoyl)-4,6-ditert-butylphenyl] acetate
• CAS: 143445-64-1
• 化学式: C₃₃H₄₆O₅
• 分子量: 522.725
• InChiKey: RCMZUXANRHSQIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 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：

  Bis<2-(acetyloxy)-3,5-bis-(1,1-dimetylethyl)phenyl>methanone 以79%的产率得到Bis<3,5-bis(1,1-dimetylethyl)-2-hydroxyphenyl>methanone
  参考文献：
  名称：

  Simultaneous coordination of a ketone by two main-group Lewis acids

  摘要：

  DOI：

  10.1021/ja00046a061
• 作为产物：
  描述：

  2,2-亚甲基 双(4,6-二叔丁基苯酚) 在 吡啶 、 chromium(VI) oxide 、 乙酸酐 作用下， 反应 16.0h， 生成 Bis<2-(acetyloxy)-3,5-bis-(1,1-dimetylethyl)phenyl>methanone
  参考文献：
  名称：

  Synthesis and Structure of 2,2'-Dihydroxybenzophenones and 1,8-Dihydroxyfluorenones

  摘要：

  Derivatives of 2,2'-dihydroxybenzophenone and 1,8-dihydroxyfluorenone are interesting because their structures juxtapose a carbonyl group and two hydroxyl groups, thereby permitting them to be used to study the double electrophilic activation of carbonyl compounds by Lewis and Bronsted acids. Efficient syntheses of selected 2,2'-dihydroxybenzophenones 2a,b and 1,8-dihydroxyfluorenones 3a-c are described. Spectroscopic and X-ray crystallographic studies show that the carbonyl oxygen atom in each series of compounds accepts two approximately symmetric intramolecular hydrogen bonds. This observation illustrates the ability of carbonyl compounds to interact simultaneously with multiple electrophilic sites.

  DOI：

  10.1021/jo00104a040

文献信息

• Sharma Vijay, Bachand Benoit, Simard Michel, Wuest James D., J. Org. Chem, 59 (1994) N 25, S 7785- 7792
  作者：Sharma Vijay, Bachand Benoit, Simard Michel, Wuest James D.

  DOI：——

  日期：——