7-bromo-9,9-dihexyl-9H-fluorene-2-carboxylic acid | 313644-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 7-bromo-9,9-dihexyl-9H-fluorene-2-carboxylic acid
• CAS: 313644-48-3
• 化学式: C₂₆H₃₃BrO₂
• 分子量: 457.451
• InChiKey: KTROMKJQKWSRKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.35
• 重原子数：
  29.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  7-bromo-9,9-dihexyl-9H-fluorene-2-carboxylic acid 在 吡啶 、 copper(l) iodide 、 氯化亚砜 、 palladium diacetate 、 二异丙胺 、 三苯基膦 作用下， 生成 2,5-bis(9,9-dihexyl-7-((trimethylsilyl)ethynyl)-9H-fluoren-2-yl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis, Light-Emitting, and Two-Photon Absorption Properties of Platinum-Containing Poly(arylene-ethynylene)s Linked by 1,3,4-Oxadiazole Units

  摘要：

  A series of soluble and thermally stable group 10 platinum(II) polyyne polymers of the type [-C equivalent to C- P1(PBu3)(2)-C equivalent to C-Ar-Ox-Ar-](n) (where Ox = 1,3,4-oxadiazole, Ar = p-C6H4 or 2,7-dihexy]-9.9-fluorene) and [-C equivalent to C-Pt(PBu3)(2)-C equivalent to C-Ar-Ox-Ar-Ox-Ar](n) (where Ar = 2,7-dihexy]-9.9-fluorene) along with their corresponding dinuclear model compounds [Ph-P1(PEt3)(2)-C equivalent to C-Ar-l(2)-Ox-(where Ar = p-C6H4 or 2,7-dihexy1-9,9-fluorene) and [Ph-Pt(PEt3)(2)-C equivalent to C-Ar-Ox-](2)-Ar- (where Ar = 2,7-dihexyl-9,9-fluorene) were prepared and characterized. The regiochemical structure of the polymers has been ascertained by single-crystal X-ray analysis on the model compound [Ph-Pt(PEt3)(2)-C equivalent to C-p-C6H4-l(2)-Ox- The photophysical properties (absorption, excitation, emission, and nanosecond transient absorption spectra) of these metalated compounds in 2MeTHF at 298 and 77 K are reported. These findings are correlated by density functional theory (DFT) calculations. Geometry optimizations predict totally planar molecules for these metalated complexes and polymers, allowing better pi-conjugation across the main chain. The ligands are strongly fluorescent but become also phosphorescent when the Pt atom is introduced in the backbone of the conjugated organometa Hie complexes and polymers. These emissions arc assigned to pi pi* transitions in all cases involving the Ptd(xy) orbitals. These Pt compounds exhibit two-photon absorption (2PA), and their 2PA cross sections (sigma 2) have been determined. The potential of exploiting such metallopolymers for the design of electrophosphorescent polymer light-emitting devices (PLEDs) and their use as single-dopant for white PLEDs have also been discussed.

  DOI：

  10.1021/ma1009319
• 作为产物：
  描述：

  9,9-二己基-2,7-二溴代芴 在 硫酸 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 7-bromo-9,9-dihexyl-9H-fluorene-2-carboxylic acid
  参考文献：
  名称：

  具有对称和不对称取代骨架的小树枝状发色团的合成和双光子特性

  摘要：

  一组新型多支化发色团由两组芴/恶二唑类类似物组成，具有供体-π-受体（不对称）和供体-π-受体-π-供体（对称）类型的通用骨架已被合成并显示在飞秒激光脉冲照射下，在近红外 (NIR) 区域显示强且广泛分散的双光子吸收率。还证明了结构参数，例如连接的供体单元的数量和取代模式，与这些模型化合物的分子双光子活性密切相关。

  DOI：

  10.1002/ejoc.201101485

文献信息

• Two-photon absorption and effective optical power-limiting properties of small dendritic chromophores derived from functionalized fluorene/oxadiazole units
  作者：Tzu-Chau Lin、Ying-Hsuan Lee、Bor-Rong Huang、Chia-Ling Hu、Yu-Kai Li

  DOI：10.1016/j.tet.2012.04.073

  日期：2012.6

  A set of novel multi-branched chromophores composed of four analogues with generic skeletons of donor-π-acceptor (D-π-A) derived from functionalized fluorene/oxadiazole moieties has been synthesized and experimentally shown to possess strong and wide-dispersed two-photon absorptivities in near infrared (NIR) region under the irradiation of femtosecond laser pulses. It is demonstrated that structural

  合成了一组新颖的多支发色团，该发色团由四个类似物组成，这些类似物具有衍生自功能化芴/恶二唑基团的供体-π-受体（D-π-A）的一般骨架，并通过实验证明其具有强而分散的两个飞秒激光脉冲辐照下近红外（NIR）区域的光子吸收率。结果表明，结构参数，例如π骨架的大小和所连接的给电子单元的数量与这些模型化合物的分子双光子活性密切相关。