1,4-dibromo-2,5-bis{[2-(ethoxydimethylsilyl)phenyl]ethynyl}benzene | 922736-78-5

• 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: 1,4-dibromo-2,5-bis{[2-(ethoxydimethylsilyl)phenyl]ethynyl}benzene
• 英文别名: {(2,5-Dibromo-1,4-phenylene)bis[(ethyne-2,1-diyl)-2,1-phenylene]}bis[ethoxy(dimethyl)silane]；[2-[2-[2,5-dibromo-4-[2-[2-[ethoxy(dimethyl)silyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]-ethoxy-dimethylsilane
• CAS: 922736-78-5
• 化学式: C₃₀H₃₂Br₂O₂Si₂
• 分子量: 640.562
• InChiKey: HARFNSVIEQXMQN-UHFFFAOYSA-N

物化性质

• 熔点：
  135-137 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  627.1±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-dibromo-2,5-bis{[2-(ethoxydimethylsilyl)phenyl]ethynyl}benzene 在 叔丁基锂 、 sulfur 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 1.0h， 以68%的产率得到5,5,18,18-Tetramethyl-13,26-dithia-5,18-disilaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6,8,10,14,17(25),19,21,23-undecaene
  参考文献：
  名称：

  Ladder Distyrylbenzenes with Silicon and Chalcogen Bridges:  Synthesis, Structures, and Properties

  摘要：

  A cascade-type anionic double cyclization of (o-silylphenyl)(o-halophenyl)acetylenes via lithiation followed by treatment with elemental chalcogen produces silicon and chalcogen-bridged stilbenes. Based on this reaction, a series of silicon and sulfur- or silicon and selenium-bridged ladder distyrylbenzenes have been synthesized. Their chemical modification by oxidation, crystal structures, and photophysical properties are described.

  DOI：

  10.1021/ol062615s
• 作为产物：
  描述：

  (2-溴苯乙炔基)三甲基硅烷 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 正丁基锂 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 为溶剂， 反应 39.5h， 生成 1,4-dibromo-2,5-bis{[2-(ethoxydimethylsilyl)phenyl]ethynyl}benzene
  参考文献：
  名称：

  Ladder Distyrylbenzenes with Silicon and Chalcogen Bridges:  Synthesis, Structures, and Properties

  摘要：

  A cascade-type anionic double cyclization of (o-silylphenyl)(o-halophenyl)acetylenes via lithiation followed by treatment with elemental chalcogen produces silicon and chalcogen-bridged stilbenes. Based on this reaction, a series of silicon and sulfur- or silicon and selenium-bridged ladder distyrylbenzenes have been synthesized. Their chemical modification by oxidation, crystal structures, and photophysical properties are described.

  DOI：

  10.1021/ol062615s

文献信息

• Ladder Distyrylbenzenes with Silicon and Chalcogen Bridges:  Synthesis, Structures, and Properties
  作者：Kazuhiro Mouri、Atsushi Wakamiya、Hiroshi Yamada、Takashi Kajiwara、Shigehiro Yamaguchi

  DOI：10.1021/ol062615s

  日期：2007.1.1

  A cascade-type anionic double cyclization of (o-silylphenyl)(o-halophenyl)acetylenes via lithiation followed by treatment with elemental chalcogen produces silicon and chalcogen-bridged stilbenes. Based on this reaction, a series of silicon and sulfur- or silicon and selenium-bridged ladder distyrylbenzenes have been synthesized. Their chemical modification by oxidation, crystal structures, and photophysical properties are described.