ethyl 2-(4-bromobenzyl)-3-(4-bromophenyl)propanoate | 1239691-59-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: ethyl 2-(4-bromobenzyl)-3-(4-bromophenyl)propanoate
• 英文别名: Ethyl 3-(4-bromophenyl)-2-[(4-bromophenyl)methyl]propanoate
• CAS: 1239691-59-8
• 化学式: C₁₈H₁₈Br₂O₂
• 分子量: 426.148
• InChiKey: DBCAIOANFPTINW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 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：

  ethyl 2-(4-bromobenzyl)-3-(4-bromophenyl)propanoate 、 甲基锂 在 cerium(III) chloride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 生成 4-(4-Bromophenyl)-3-[(4-bromophenyl)methyl]-2-methylbutan-2-ol
  参考文献：
  名称：

  Folded H-Stacking Polymers by Conformational Control with 2-Substituted Trimethylene Tethers

  摘要：

  Oligomers and polymers of type [-CH2CHRCH2-(pi)-](n) comprising aryl units tethered by 2-substituted trimethylene were found to exist as a folding H-stacking structure in polar solvents such as CH3CN and in film, which was evidenced by their blue-shifted UV absorption compared to that of the parent aryl compounds, and exhibited predominantly excimer-like emission. In addition, annealing of the films resulted in a unique layered structure, which may arise from the folded polymer form.

  DOI：

  10.1021/ma1011057
• 作为产物：
  描述：

  diethyl 2,2-bis(4-bromobenzyl)malonate 在 水 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以11.5 g的产率得到ethyl 2-(4-bromobenzyl)-3-(4-bromophenyl)propanoate
  参考文献：
  名称：

  Folded H-Stacking Polymers by Conformational Control with 2-Substituted Trimethylene Tethers

  摘要：

  Oligomers and polymers of type [-CH2CHRCH2-(pi)-](n) comprising aryl units tethered by 2-substituted trimethylene were found to exist as a folding H-stacking structure in polar solvents such as CH3CN and in film, which was evidenced by their blue-shifted UV absorption compared to that of the parent aryl compounds, and exhibited predominantly excimer-like emission. In addition, annealing of the films resulted in a unique layered structure, which may arise from the folded polymer form.

  DOI：

  10.1021/ma1011057

文献信息

• COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE
  申请人：Funyuu Shigeaki

  公开号：US20120289674A1

  公开（公告）日：2012-11-15

  A compound represented by a formula 1 shown below. In the formula 1, each of R1 and R2 independently represents a group selected from the group consisting of a hydrogen atom and substituents composed of C, H and/or X (wherein X represents a hetero atom), and each of Z1 and Z2 independently represents a group selected from the group consisting of aromatic substituents composed of C and H, aromatic substituents composed of C, H and X (wherein X represents a hetero atom), groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C and H, and groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C, H and/or X (wherein X represents a hetero atom).

  下面是公式1所代表的化合物。在公式1中，R1和R2中的每一个都独立地表示从由C、H和/或X（其中X表示杂原子）组成的取代基和氢原子组成的群中选择的群，而Z1和Z2中的每一个都独立地表示从由C和H组成的芳香基取代物、由C、H和X（其中X表示杂原子）组成的芳香基取代物、含有芳香环和双键和/或三键共轭结构的由C和H组成的基团以及含有芳香环和双键和/或三键共轭结构的由C、H和/或X（其中X表示杂原子）组成的基团中选择的群。
• US9051246B2
  申请人：——

  公开号：US9051246B2

  公开（公告）日：2015-06-09