5-bromo-2-(2-ethylhexyloxy)-1,3-dimethylbenzene | 911001-00-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-bromo-2-(2-ethylhexyloxy)-1,3-dimethylbenzene
• 英文别名: 5-Bromo-2-(2-ethylhexoxy)-1,3-dimethylbenzene；5-bromo-2-(2-ethylhexoxy)-1,3-dimethylbenzene
• CAS: 911001-00-8
• 化学式: C₁₆H₂₅BrO
• 分子量: 313.278
• InChiKey: LTAYVQDDOHYMGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(2-ethylhexyloxy)-1,3-dimethylbenzene 在 potassium phosphate 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 (1S,2S)-(+)-1,2-环己二胺 、 过氧化苯甲酰 作用下， 以 1,4-二氧六环 、 四氯化碳 为溶剂， 反应 52.0h， 生成 N-[4-(2-ethylhexyloxy)-3,5-di(bromomethyl)phenyl]carbazole
  参考文献：
  名称：

  Synthesis and Characterization of Poly(N-arylcarbazole-alt-aniline) Copolymers as Blue-Emitting Host Matrix for Polymer Light-Emitting Diodes

  摘要：

  DOI：

  10.1080/15421400600930417
• 作为产物：
  描述：

  溴代异辛烷 、 4-溴-2,6-二甲基苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-bromo-2-(2-ethylhexyloxy)-1,3-dimethylbenzene
  参考文献：
  名称：

  Synthesis and photovoltaic properties of organic small molecules containing triphenylamine and benzothiadiazole moieties with different terminal groups

  摘要：

  Three new organic small molecules (TPA-DTBT, TPA-DTBT-TH and TPA-DTBT-CAO) containing triphenylamine (TPA) and 4,7-bis(thiophen-2-yl)benzo[1,2,5]thiadiazole (DTBT) moieties with different terminal groups were designed and synthesized. Their thermal, photophysical, electrochemical and photovoltaic properties were investigated. The introduction of 2-ethylhexyl cyanoacetate and 2-tetradecyl thiophene as terminal groups extended molecular pi-conjugation length and broadened the absorption spectra. Three small molecules exhibit good solubility in common organic solvents, good film-forming ability, and thermal stability. Bulk heterojunction (BHJ) solar cells based on the blend of small molecule TPA-DTBT and PC61BM showed a power conversion efficiency (eta) of 1.85%. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.03.011

文献信息

• Synthesis and Electro-Optical Properties of Carbazole Containing Copolymers with Different Conjugated Structures for Polymer Light-Emitting Devices
  作者：Jin Woo Kim、Eun Jung Park、Eon Joo Lyu、Yun-Su Lee、Younghwan Kwon、Lee Soon Park

  DOI：10.1080/15421400802620030

  日期：2009.2.25

  New copolymers such as Poly(9-(4-(2-ethyl-hexyloxy)-3,5-dimethylphenyl)carbazole-alt-aminonaphtalene) [P1] and Poly(4-(bis-methylbiphenyl-alt-9H-carbazol-9-yl)benzenamine) [P2] with chromophores separated by non-conjugated methylene spacers, and Poly(4-(dioctylfluorene-alt-9H-carbazole-9yl)benzenamine) [P3] based on alternating fluorene and amine units in the polymer backbone were synthesized by palladium catalyzed polycondensation reaction. Optical properties of these polymers were characterized in terms of UV/visible absorption and photoluminescence (PL) emission in solution and film state. Maximum PL emission (max,PL) of synthesized copolymers were observed in the blue region of 426nm-460nm in solution state, but the three polymers all showed large red shift in film state with the green emission. The electro-optical properties of these polymers in polymer light-emitting diode (PLED) devices were investigated from the viewpoint of utilizing the new polymers as emitting layer and hole injection/transport layer. The polymer P3 was found to function both as hole injection and hole transport layer with performance better than that of well known PEDOT:PSS hole injection layer material.