1,4-bis(chloromethyl)-2-methoxy-5-((2-methylpentyl)oxy)benzene | 146401-90-3

• 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-bis(chloromethyl)-2-methoxy-5-((2-methylpentyl)oxy)benzene
• 英文别名: 1,4-Bis(chloromethyl)-2-methoxy-5-(2-methylpentoxy)benzene
• CAS: 146401-90-3
• 化学式: C₁₅H₂₂Cl₂O₂
• 分子量: 305.244
• InChiKey: YUHYWHGOVGFNRA-UHFFFAOYSA-N

物化性质

• 沸点：
  394.2±37.0 °C(predicted)
• 密度：
  1.106±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  四氢噻吩 、 1,4-bis(chloromethyl)-2-methoxy-5-((2-methylpentyl)oxy)benzene 以 甲醇 为溶剂， 反应 17.0h， 以56%的产率得到1,1'-<(2-methoxy-5-((2-methoxypentyl)oxy)-p-phenylene)bis(methylene)>bis dichloride
  参考文献：
  名称：

  Chemical tuning of the electronic properties of poly(p-phenylenevinylene)-based copolymers

  摘要：

  Molecular engineering has allowed the control of the HOMO-LUMO gap energy in a family of conjugated polymers based on poly(p-phenylenevinylene) (PPV). Random copolymerization of 1 and 6 afforded precursor polymers 10 with two different leaving groups. Treatment under thermal conditions led to a partially conjugated polymer 11 with regions of high and low HOMO-LUMO gap energy, showing a 30-fold improvement in electroluminescence efficiency compared with PPV, while treatment under acidic and thermal conditions gave more substantially conjugated polymers 12 with lower HOMO-LUMO gap energies. This chemistry enabled the formation of lithographically patterned polymers exhibiting electroluminescence. The scope of these copolymerizations was also explored with other copolymers, 19 and 22b,c.

  DOI：

  10.1021/ja00075a030
• 作为产物：
  描述：

  1-溴-2-甲基戊烷 在 盐酸 、 sodium methylate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 70.5h， 生成 1,4-bis(chloromethyl)-2-methoxy-5-((2-methylpentyl)oxy)benzene
  参考文献：
  名称：

  Chemical tuning of the electronic properties of poly(p-phenylenevinylene)-based copolymers

  摘要：

  Molecular engineering has allowed the control of the HOMO-LUMO gap energy in a family of conjugated polymers based on poly(p-phenylenevinylene) (PPV). Random copolymerization of 1 and 6 afforded precursor polymers 10 with two different leaving groups. Treatment under thermal conditions led to a partially conjugated polymer 11 with regions of high and low HOMO-LUMO gap energy, showing a 30-fold improvement in electroluminescence efficiency compared with PPV, while treatment under acidic and thermal conditions gave more substantially conjugated polymers 12 with lower HOMO-LUMO gap energies. This chemistry enabled the formation of lithographically patterned polymers exhibiting electroluminescence. The scope of these copolymerizations was also explored with other copolymers, 19 and 22b,c.

  DOI：

  10.1021/ja00075a030

文献信息

• SEMICONDUCTIVE COPOLYMERS FOR USE IN LUMINESCENT DEVICES
  申请人：Cambridge Display Technology Limited

  公开号：EP0544795B1

  公开（公告）日：1999-04-28
• PATTERNING OF SEMICONDUCTIVE POLYMERS
  申请人：CAMBRIDGE RESEARCH AND INNOVATION LIMITED

  公开号：EP0544771A1

  公开（公告）日：1993-06-09
• US5328809A
  申请人：——

  公开号：US5328809A

  公开（公告）日：1994-07-12
• US5401827A
  申请人：——

  公开号：US5401827A

  公开（公告）日：1995-03-28
• US5425125A
  申请人：——

  公开号：US5425125A

  公开（公告）日：1995-06-13