[2-(Hydroxymethyl)-4-(2,4,6-trimethylphenyl)-3,6-bis(trimethylsilyl)phenyl]methanol | 1159414-25-1

• 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: [2-(Hydroxymethyl)-4-(2,4,6-trimethylphenyl)-3,6-bis(trimethylsilyl)phenyl]methanol
• CAS: 1159414-25-1
• 化学式: C₂₃H₃₆O₂Si₂
• 分子量: 400.709
• InChiKey: LYCNXVQFFCVXQD-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C
• 沸点：
  434.7±45.0 °C(predicted)
• 密度：
  1.02±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4,6-三级甲基苯乙炔 、 2,5-bis(trimethylsilyl)-3,4-bis(hydroxymethyl)cyclopentadienone 以 甲苯 为溶剂， 反应 48.0h， 以25%的产率得到[2-(Hydroxymethyl)-4-(2,4,6-trimethylphenyl)-3,6-bis(trimethylsilyl)phenyl]methanol
  参考文献：
  名称：

  Diels−Alder Reactions of Cyclopentadienones with Aryl Alkynes To Form Biaryl Compounds

  摘要：

  Diels-Alder reactions of cyclopentadienones, to afford substituted biaryls, were studied using an expanded substrate base. Electron-withdrawing groups on the aryl alkyne dienophile facilitated the reaction, and these substrates gave better yields than those with electron-donating substituents. Steric effects were also found to be important, and o,o'-dimethylphenylacetylene gave much poorer yield of biaryl product.

  DOI：

  10.1021/jo900559n

文献信息

• Diels−Alder Reactions of Cyclopentadienones with Aryl Alkynes To Form Biaryl Compounds
  作者：Anthony J. Pearson、Yan Zhou

  DOI：10.1021/jo900559n

  日期：2009.6.5

  Diels-Alder reactions of cyclopentadienones, to afford substituted biaryls, were studied using an expanded substrate base. Electron-withdrawing groups on the aryl alkyne dienophile facilitated the reaction, and these substrates gave better yields than those with electron-donating substituents. Steric effects were also found to be important, and o,o'-dimethylphenylacetylene gave much poorer yield of biaryl product.