1-(2'-ethylhexyl)-3-ethylheptanol | 1086429-94-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-(2'-ethylhexyl)-3-ethylheptanol
• 英文别名: 5,9-Diethyl-tridecan-7-ol；5,9-diethyltridecan-7-ol
• CAS: 1086429-94-8
• 化学式: C₁₇H₃₆O
• 分子量: 256.472
• InChiKey: VLXYTKWJWIGWMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  18
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,7-dibromo-5,6-difluoro-1H-benzotriazole 、 1-(2'-ethylhexyl)-3-ethylheptanol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 以50%的产率得到4,7-dibromo-2-(1-(2'-ethylhexyl)-3-ethylhexyl)-5,6-difluoro-2,1,3-benzotriazole
  参考文献：
  名称：

  基于5,6-二氟苯并三唑和低聚噻吩的DA共聚物：合成，场效应晶体管和聚合物太阳能电池

  摘要：

  成功合成了两种新的5,6-二氟苯并三唑（FBTA）-低聚噻吩共聚物PFBTA-3T和PFBTA-4T，分别在主链上包含三噻吩（3T）和四噻吩（4T）。建立了合成FBTA单体的新途径。聚合物PFBTA-3T和PFBTA-4T在普通有机溶剂中显示出良好的溶解性和良好的热稳定性。与聚（3-己基噻吩）相比，在PFBTA-3T和PFBTA-4T中掺入FBTA可能导致两种共聚物的带隙较小，约为1.83 eV。PFBTA-3T和PFBTA-4T的HOMO水平分别为-5.49和-5.31 eV，而它们的LUMO水平分别为-3.65和-3.90 eV。在未经高温热退火的场效应晶体管中，PFBTA-3T和PFBTA-4T的空穴迁移率可达到1.68×10-3和1.31×10 -2  cm 2  V -1  s -1。PFBTA-4T的迁移率是已报道的基于FBTA的聚合物中最高的，这表明FBTA是构建高迁移率聚合

  DOI：

  10.1016/j.polymer.2014.02.046

文献信息

• NOVEL COMPOSITIONS, METHODS, AND POLYMERS
  申请人：Sheina Elena E.

  公开号：US20090221740A1

  公开（公告）日：2009-09-03

  A composition comprising a copolymer comprising DTP units for use in, for example, low band gap materials including uses in organic photovoltaic active layers. The band gap and other properties can be engineered by copolymerization methods including selection of monomer structure and ratio of monomer components. In addition, a dimer adapted for making alternating copolymers further comprising one first monomer moiety comprising at least one DTP moiety compound covalently linked to one second monomer moiety comprising at least one non-DTP moiety or a different DTP moiety. The composition can be copolymerized to form an alternating copolymer that can be further processed to form a polymeric film used in a printed organic electronic device. A series of novel alternating dithieno[3,2-b:2′,3′-d]pyrrole (DTP)-based donor repeat unit copolymers were designed that would allow fabrication of materials with tailor made electronic and/or mechanical properties that can be easily manipulated through molecules chemical structure and potentially result in long term stability under ambient conditions that can be advantageous for use in organic electronics (e.g., OPVs, OLEDs, OFETs).

  一种组合物，包括一种共聚物，其中包括DTP单元，用于制备低带隙材料，包括在有机光伏活性层中使用。可以通过共聚方法来工程化带隙和其他性质，包括选择单体结构和单体组分的比例。此外，还提供一种二聚体，适用于制备交替共聚物，其中包括至少一个DTP基团化合物共价连接到至少一个非DTP基团或不同DTP基团的第二单体基团。该组合物可以共聚形成交替共聚物，进一步加工成用于印刷有机电子器件的聚合膜。设计了一系列新型的交替DTP基团重复单元共聚物，这些共聚物可以制备出具有定制电子和/或机械性能的材料，可以通过分子化学结构轻松操纵，并且在环境条件下具有长期稳定性，这对于有机电子学（例如，有机光伏，有机发光二极管，有机场效应晶体管）的使用是有利的。
• NOVEL COMPOSITIONS AND METHODS INCLUDING ALTERNATING COPOLYMERS COMPRISING DITHIENOPYRROLE UNITS
  申请人：Plextronics, Inc.

  公开号：EP2242786A1

  公开（公告）日：2010-10-27
• [EN] NOVEL COMPOSITIONS AND METHODS INCLUDING ALTERNATING COPOLYMERS COMPRISING DITHIENOPYRROLE UNITS<br/>[FR] NOUVEAUX COMPOSITIONS ET PROCÉDÉS INCLUANT DES COPOLYMÈRES ALTERNÉS COMPRENANT DES MOTIFS DITHIÉNOPYRROLE
  申请人：PLEXTRONICS INC

  公开号：WO2009103030A1

  公开（公告）日：2009-08-20

  A composition comprising a copolymer comprising DTP units for use in, for example, low band gap materials including uses in organic photovoltaic active layers. The band gap and other properties can be engineered by copolymerization methods including selection of monomer structure and ratio of monomer components. In addition, a dimer adapted for making alternating copolymers further comprising one first monomer moiety comprising at least one DTP moiety compound covalently linked to one second monomer moiety comprising at least one non-DTP moiety or a different DTP moiety. The composition can be copolymerized to form an alternating copolymer that can be further processed to form a polymeric film used in a printed organic electronic device. A series of novel alternating dithieno[3,2-b:2',3'-d]pyrrole (DTP)-based donor repeat unit copolymers were designed that would allow fabrication of materials with tailor made electronic and/or mechanical properties that can be easily manipulated through molecules chemical structure and potentially result in long term stability under ambient conditions that can be advantageous for use in organic electronics (e.g., OPVs, OLEDs, OFETs).
• D-A copolymers based on 5,6-difluorobenzotriazole and oligothiophenes: Synthesis, field effect transistors, and polymer solar cells
  作者：Xuncheng Liu、Ping Cai、Zhenhui Chen、Lianjie Zhang、Xiaofei Zhang、Jiangman Sun、Haitao Wang、Junwu Chen、Junbiao Peng、Hongzheng Chen、Yong Cao

  DOI：10.1016/j.polymer.2014.02.046

  日期：2014.4

  mobility for PFBTA-4T is the highest among the reported FBTA-based polymers, suggesting that FBTA is a promising heterocycle to construct polymers with high mobility. Polymer solar cells were also fabricated with PFBTA-3T and PFBTA-4T as the donor and PC61BM as the acceptor. With copolymer: PC61BM = 1:1.5 as the active layers, polymer solar cells showed power conversion efficiencies of 3.0% and 2.51% for PFBTA-3T

  成功合成了两种新的5,6-二氟苯并三唑（FBTA）-低聚噻吩共聚物PFBTA-3T和PFBTA-4T，分别在主链上包含三噻吩（3T）和四噻吩（4T）。建立了合成FBTA单体的新途径。聚合物PFBTA-3T和PFBTA-4T在普通有机溶剂中显示出良好的溶解性和良好的热稳定性。与聚（3-己基噻吩）相比，在PFBTA-3T和PFBTA-4T中掺入FBTA可能导致两种共聚物的带隙较小，约为1.83 eV。PFBTA-3T和PFBTA-4T的HOMO水平分别为-5.49和-5.31 eV，而它们的LUMO水平分别为-3.65和-3.90 eV。在未经高温热退火的场效应晶体管中，PFBTA-3T和PFBTA-4T的空穴迁移率可达到1.68×10-3和1.31×10 -2  cm 2  V -1  s -1。PFBTA-4T的迁移率是已报道的基于FBTA的聚合物中最高的，这表明FBTA是构建高迁移率聚合