Methyl 5-bromo-2,4-diisopropylbenzoate | 159217-33-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Methyl 5-bromo-2,4-diisopropylbenzoate
• 英文别名: Methyl 5-bromo-2,4-di(propan-2-yl)benzoate
• CAS: 159217-33-1
• 化学式: C₁₄H₁₉BrO₂
• 分子量: 299.208
• InChiKey: NLTLJZYXNTXTNL-UHFFFAOYSA-N

物化性质

• 沸点：
  346.5±30.0 °C(predicted)
• 密度：
  1.227±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Methyl 5-bromo-2,4-diisopropylbenzoate 在 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 1.0h， 生成 1-[Bis[5-[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-di(propan-2-yl)phenyl]-methoxymethyl]-5-bromo-2,4-di(propan-2-yl)benzene
  参考文献：
  名称：

  Synthesis of Sterically Hindered 1,3-Connected Polyarylmethanes

  摘要：

  Sterically hindered 1,3-connected polyarylmethanes were prepared by repetitive additions of aryllithiums to carbonyl compounds. Synthetic routes with various degree of convergence were used. Variable temperature NMR spectroscopy, in conjunction with other techniques, was used to characterize the products.

  DOI：

  10.1021/jo00102a041
• 作为产物：
  描述：

  4,6-dibromo-1,3-diisopropylbenzene 在 正丁基锂 、 氯化亚砜 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 24.83h， 生成 Methyl 5-bromo-2,4-diisopropylbenzoate
  参考文献：
  名称：

  Synthesis of Sterically Hindered 1,3-Connected Polyarylmethanes

  摘要：

  Sterically hindered 1,3-connected polyarylmethanes were prepared by repetitive additions of aryllithiums to carbonyl compounds. Synthetic routes with various degree of convergence were used. Variable temperature NMR spectroscopy, in conjunction with other techniques, was used to characterize the products.

  DOI：

  10.1021/jo00102a041

文献信息

• Synthesis of Sterically Hindered 1,3-Connected Polyarylmethanes
  作者：Andrzej Rajca、Slawomir Janicki

  DOI：10.1021/jo00102a041

  日期：1994.11

  Sterically hindered 1,3-connected polyarylmethanes were prepared by repetitive additions of aryllithiums to carbonyl compounds. Synthetic routes with various degree of convergence were used. Variable temperature NMR spectroscopy, in conjunction with other techniques, was used to characterize the products.