2-bromo-9-[3,5-bis(trifluoromethyl)phenyl]-9-(4-hydroxyphenyl)fluorene | 869565-70-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-bromo-9-[3,5-bis(trifluoromethyl)phenyl]-9-(4-hydroxyphenyl)fluorene
• 英文别名: 4-[9-[3,5-Bis(trifluoromethyl)phenyl]-2-bromofluoren-9-yl]phenol；4-[9-[3,5-bis(trifluoromethyl)phenyl]-2-bromofluoren-9-yl]phenol
• CAS: 869565-70-8
• 化学式: C₂₇H₁₅BrF₆O
• 分子量: 549.31
• InChiKey: PYTCYYPOIROZGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-bromo-9-[3,5-bis(trifluoromethyl)phenyl]-9-(4-hydroxyphenyl)fluorene 在 四(三苯基膦)钯 、 palladium diacetate potassium acetate 、 四乙基氢氧化铵 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 21.0h， 生成 4-[9-[3,5-Bis(trifluoromethyl)phenyl]-2-[9-[3,5-bis(trifluoromethyl)phenyl]-9-(4-hydroxyphenyl)fluoren-2-yl]fluoren-9-yl]phenol
  参考文献：
  名称：

  Synthesis and Electrooptical Properties of Copolymers Derived from Phenol-Functionalized Telechelic Oligofluorenes

  摘要：

  This paper describes the synthesis, characterization, and electrooptical properties of a series of phenol-capped, discrete oligofluorenes with 2, 3, 5, and 7 fluorene units and a statistical oligomer with an average of about 10 fluorene units. Polymers were prepared from the oligomers by various linking reactions through the phenol groups. High molecular weight polycarbonate polymers derived from these oligomers were prepared using BPA-bis-chloroformate (BPABCF) as the linking group. Trends in the optical and electrical properties as a function of oligomer length are reported. Device data for this family of emissive copolymers indicates that charge mobility increases with conjugation length and can be better than that of an analogue homopolymer. A surprising shift in LUMO values due to CF3 substitution at the ends of the oligomers was observed.

  DOI：

  10.1021/ma0518353
• 作为产物：
  描述：

  2-溴-9-芴酮 在 甲烷磺酸 、 magnesium 、 1,2-二溴乙烷 作用下， 以 二氯甲烷 为溶剂， 反应 21.5h， 生成 2-bromo-9-[3,5-bis(trifluoromethyl)phenyl]-9-(4-hydroxyphenyl)fluorene
  参考文献：
  名称：

  Synthesis and Electrooptical Properties of Copolymers Derived from Phenol-Functionalized Telechelic Oligofluorenes

  摘要：

  This paper describes the synthesis, characterization, and electrooptical properties of a series of phenol-capped, discrete oligofluorenes with 2, 3, 5, and 7 fluorene units and a statistical oligomer with an average of about 10 fluorene units. Polymers were prepared from the oligomers by various linking reactions through the phenol groups. High molecular weight polycarbonate polymers derived from these oligomers were prepared using BPA-bis-chloroformate (BPABCF) as the linking group. Trends in the optical and electrical properties as a function of oligomer length are reported. Device data for this family of emissive copolymers indicates that charge mobility increases with conjugation length and can be better than that of an analogue homopolymer. A surprising shift in LUMO values due to CF3 substitution at the ends of the oligomers was observed.

  DOI：

  10.1021/ma0518353

文献信息

• Monomers and polymers comprising conjugated groups and methods for making thereof
  申请人：Cella Anthony James

  公开号：US20050256290A1

  公开（公告）日：2005-11-17

  Disclosed is a polymer composition derived from a bis-phenol comprising a conjugated aromatic radical, optionally comprising nitrogen. Suitable bis-phenols as well as methods for making said polymer are also disclosed. Also disclosed are electroactive layers comprising said polymer and electroactive devices comprising said layer.

  本发明公开了一种聚合物组合物，其来源于含有共轭芳基的双酚，可选地还包括氮。本发明还公开了适合用于制备该聚合物的双酚以及制备方法。本发明还公开了包含该聚合物的电活性层以及包含该层的电活性装置。
• MONOMERS AND POLYMERS COMPRISING CONJUGATED GROUPS AND METHODS FOR MAKING THEREOF
  申请人：General Electric Company

  公开号：EP1907437A1

  公开（公告）日：2008-04-09
• US7652126B2
  申请人：——

  公开号：US7652126B2

  公开（公告）日：2010-01-26
• [EN] MONOMERS AND POLYMERS COMPRISING CONJUGATED GROUPS AND METHODS FOR MAKING THEREOF<br/>[FR] MONOMERES ET POLYMERES CONTENANT DES GROUPES CONJUGUES ET PROCEDES DE PREPARATION DE CEUX-CI
  申请人：GEN ELECTRIC

  公开号：WO2007005289A1

  公开（公告）日：2007-01-11

  [EN] Disclosed is a polymer composition derived from a bis-phenol comprising a conjugated aromatic radical, optionally comprising nitrogen. Suitable bis-phenols as well as methods for making said polymer are also disclosed. Also disclosed are electroactive layers comprising said polymer and electroactive devices comprising said layer.
  [FR] L'invention concerne une composition de polymère dérivée d'un bisphénol contenant un radical aromatique conjugué, contenant éventuellement de l'azote. L'invention concerne également des bisphénols appropriés ainsi que des procédés de préparation de ce polymère. Elle concerne enfin des couches électroactives contenant ce polymère et des dispositifs électroactifs contenant ces couches.
• Synthesis and Electrooptical Properties of Copolymers Derived from Phenol-Functionalized Telechelic Oligofluorenes
  作者：Timothy Burnell、James A. Cella、Paul Donahue、Anil Duggal、Thomas Early、Christian M. Heller、Jerry Liu、Joseph Shiang、David Simon、Katarzyna Slowinska、Micah Sze、Elizabeth Williams

  DOI：10.1021/ma0518353

  日期：2005.12.1

  This paper describes the synthesis, characterization, and electrooptical properties of a series of phenol-capped, discrete oligofluorenes with 2, 3, 5, and 7 fluorene units and a statistical oligomer with an average of about 10 fluorene units. Polymers were prepared from the oligomers by various linking reactions through the phenol groups. High molecular weight polycarbonate polymers derived from these oligomers were prepared using BPA-bis-chloroformate (BPABCF) as the linking group. Trends in the optical and electrical properties as a function of oligomer length are reported. Device data for this family of emissive copolymers indicates that charge mobility increases with conjugation length and can be better than that of an analogue homopolymer. A surprising shift in LUMO values due to CF3 substitution at the ends of the oligomers was observed.