4,4'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-N-octyldiphenylamine | 1357009-88-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-N-octyldiphenylamine
• 英文别名: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N-octylphenylamine
• CAS: 1357009-88-1
• 化学式: C₃₂H₄₉B₂NO₄
• 分子量: 533.367
• InChiKey: IHSXBSMQUHAZSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.78
• 重原子数：
  39.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  40.16
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  二(4-溴苯基)胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 97.0h， 生成 4,4'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-N-octyldiphenylamine
  参考文献：
  名称：

  Synthesis and photovoltaic behaviors of benzothiadiazole- and triphenylamine-based alternating copolymers

  摘要：

  A series of donor-acceptor (D-A) alternating copolymers (P1, P2 and P3) with thiophene -benzothiadiazole-thiophene-triphenylamine main chain have been synthesized by Suzuki poly-condensation. P1, P2, and P3 possess medium optical band gaps of 1.99, 1.97 and 1.93 eV, respectively. Bulk heterojunction polymer solar cells (BHJ PSCs) with these polymers as donor and PC71BM as acceptor showed power conversion efficiency (PCE) in the range of 2.1-2.8%. The highest PCE of 2.8 % was achieved for P1 with short circuit current (J(SC),) of 7.8 mA/cm(2). This study offers a useful and important insight for designing triphenylamine derivative-based polymers used for efficient PSCs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2011.12.026

文献信息

• Fluorescent conjugated polymer nanoparticles and aggregates based on rapid precipitation and self-assembled π-conjugated systems
  作者：Alis Shano Godana、Chin-Yang Yu

  DOI：10.1016/j.polymer.2018.12.039

  日期：2019.6

  spherical amorphous structures and crystalline microspheres with a diameter ranging from several nanometer to micrometer. Self-assembled conjugated polymer aggregates were obtained in a selective good solvent/poor solvent mixture. Alternating conjugated polymers are generally difficult to assemble into well-defined spheres due to their rigid and planar backbones, however, alternating polymers containing

  通过Suzuki-Miyaura交叉偶联反应合成了含有芴和二苯胺部分以及辛基和三甘醇侧链的共轭共聚物，并对其结构进行了表征。分别通过快速沉淀和溶剂扩散方法制备了共轭聚合物纳米颗粒和聚合物的自组织。共轭聚合物表现出明确的球形无定形结构和直径范围从几纳米到微米的晶体微球。在选择性的良好溶剂/不良溶剂混合物中获得自组装的共轭聚合物聚集体。交替共轭聚合物由于其刚性和平面骨架而通常很难组装成轮廓分明的球体，但是，包含二辛基和三甘醇侧链的交替聚合物倾向于根据不同的溶剂混合物形成微球或片状结构。分散的聚合物在水中的最大发射显着红移，并且光致发光的量子产率显着降低。另外，自组装共聚物的最大发射几乎没有红移，而光致发光量子产率的降低很小。