2-溴-1,4-二(戊-3-基)苯 | 825644-13-1

• 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
• 中文名称: 2-溴-1,4-二(戊-3-基)苯
• 英文名称: 1-bromo-2,5-bis(3-pentyl)benzene
• 英文别名: 2-Bromo-1,4-di(pentan-3-yl)benzene；2-bromo-1,4-di(pentan-3-yl)benzene
• CAS: 825644-13-1
• 化学式: C₁₆H₂₅Br
• 分子量: 297.279
• InChiKey: MWZCFIZOSOESGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,4-二(戊-3-基)苯 在 磷酸三甲酯 、 溴 作用下， 反应 16.0h， 以62%的产率得到2-溴-1,4-二(戊-3-基)苯
  参考文献：
  名称：

  Synthesis and properties of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene: a highly sterically hindered aryl bromide

  摘要：

  The preparation of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene is reported. The H-1 and C-13 NMR spectra indicate the presence of rotational isomers at room temperature which interconvert on heating. Coalescence of the NMR peaks for the methine and methylene aliphatic protons is observed at 100-120degreesC. The conversion of this aryl bromide to the corresponding aryllithium is reported. Similar but less bulky aryl bromides have also been synthesised. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.144

文献信息

• Synthesis and properties of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene: a highly sterically hindered aryl bromide
  作者：Barry R. Steele、Maria Micha-Screttas、Constantinos G. Screttas

  DOI：10.1016/j.tetlet.2004.10.144

  日期：2004.12

  The preparation of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene is reported. The H-1 and C-13 NMR spectra indicate the presence of rotational isomers at room temperature which interconvert on heating. Coalescence of the NMR peaks for the methine and methylene aliphatic protons is observed at 100-120degreesC. The conversion of this aryl bromide to the corresponding aryllithium is reported. Similar but less bulky aryl bromides have also been synthesised. (C) 2004 Elsevier Ltd. All rights reserved.