9-(5,3'-bis(octyloxy)-biphenyl-2-yl)-2,7-dibromo-9H-fluoren-9-ol | 500761-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(5,3'-bis(octyloxy)-biphenyl-2-yl)-2,7-dibromo-9H-fluoren-9-ol
• 英文别名: 9-(5,3'-bis-octyloxy-biphenyl-2-yl)-2,7-dibromo-9H-fluorene-9-ol；2,7-Dibromo-9-[4-octoxy-2-(3-octoxyphenyl)phenyl]fluoren-9-ol
• CAS: 500761-25-1
• 化学式: C₄₁H₄₈Br₂O₃
• 分子量: 748.638
• InChiKey: PYGVFLCPTCVINB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  46
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-(5,3'-bis(octyloxy)-biphenyl-2-yl)-2,7-dibromo-9H-fluoren-9-ol 在 盐酸 、 叔丁基锂 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 24.0h， 生成 3',6'-bis(octyloxy)-9,9'-spirobisfluorene-2,7-diboronic acid
  参考文献：
  名称：

  Synthesis of regio- and stereoselective alkoxy-substituted spirobifluorene derivatives for blue light emitting materials

  摘要：

  Three new octyloxy substituted spirobifluorenes, 2,7-diphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DPBSBF, 1a), 2,7-di-biphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DBBSBF, 1b) and 2,7-diterphenyl-3,6'-bis(octyloxy)-9,9'-spirobifluorene (DTBSBF, 1c) were prepared. All the compounds had been fully characterized by H-1 and C-13 NMR, UV-Vis, DSC, mass spectrometry and gave satisfactory elemental analyses. They possessed good solubility in common organic solvents and good homogeneous film formation. The optical energy band gap of DBBSBF was 3.27 eV between the HOMO energy level, 5.85 eV, measured by UPS and the LUMO, 2.58 eV, calculated from absorption spectrum. A blue organic light emitting diode (OLED) based on the structure of ITO/TPD (60 nm)/DBBSBF (40 nm)/Alq(3) (20 nm)/LiF (1 nm)/Al (100 run) showed good performance. The luminance of 3125 cd/m(2) was observed at a drive voltage of 12.8 V and the colour coordinate in CIE chromaticity was (0.14, 0.12). The external quantum efficiency was obtained to be 2.8% at 100 cd/m(2). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00371-5
• 作为产物：
  描述：

  1-溴-4-甲氧基-2-(3-甲氧基苯基)苯 在 叔丁基锂 、 三溴化硼 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 9-(5,3'-bis(octyloxy)-biphenyl-2-yl)-2,7-dibromo-9H-fluoren-9-ol
  参考文献：
  名称：

  Synthesis of regio- and stereoselective alkoxy-substituted spirobifluorene derivatives for blue light emitting materials

  摘要：

  Three new octyloxy substituted spirobifluorenes, 2,7-diphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DPBSBF, 1a), 2,7-di-biphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DBBSBF, 1b) and 2,7-diterphenyl-3,6'-bis(octyloxy)-9,9'-spirobifluorene (DTBSBF, 1c) were prepared. All the compounds had been fully characterized by H-1 and C-13 NMR, UV-Vis, DSC, mass spectrometry and gave satisfactory elemental analyses. They possessed good solubility in common organic solvents and good homogeneous film formation. The optical energy band gap of DBBSBF was 3.27 eV between the HOMO energy level, 5.85 eV, measured by UPS and the LUMO, 2.58 eV, calculated from absorption spectrum. A blue organic light emitting diode (OLED) based on the structure of ITO/TPD (60 nm)/DBBSBF (40 nm)/Alq(3) (20 nm)/LiF (1 nm)/Al (100 run) showed good performance. The luminance of 3125 cd/m(2) was observed at a drive voltage of 12.8 V and the colour coordinate in CIE chromaticity was (0.14, 0.12). The external quantum efficiency was obtained to be 2.8% at 100 cd/m(2). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00371-5

文献信息

• Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same
  申请人：——

  公开号：US20040034263A1

  公开（公告）日：2004-02-19

  Provided are bisphenylene-spirobifluorene compounds, a method for synthesizing the same, and EL material and device having the same. The bisphenylene-spirobifluorene compound is defined by the following formula: 1 wherein R 1 and R 2 are identical or different and are independently a straight-chain or branched alkyl group having from 1 to 22 carbon atoms, X 1 and X 2 independently contains one or more elements selected from the group consisting of C, O, N, S, Si and Ge, and m and n are integers from 1 to 4.

  提供的是双苯基-螺联芴化合物、其合成方法以及具有该化合物的EL材料和器件。双苯基-螺联芴化合物由以下公式1定义：其中R1和R2相同或不同，且均为1至22个碳原子的直链或支链烷基；X1和X2独立地包含来自C、O、N、S、Si和Ge的元素中的一个或多个；m和n为1至4的整数。
• US6844088B2
  申请人：——

  公开号：US6844088B2

  公开（公告）日：2005-01-18
• US7057074B2
  申请人：——

  公开号：US7057074B2

  公开（公告）日：2006-06-06
• Synthesis of regio- and stereoselective alkoxy-substituted spirobifluorene derivatives for blue light emitting materials
  作者：Hyoyoung Lee、Jiyoung Oh、Hye Yong Chu、Jeong-Ik Lee、Seong Hyun Kim、Yong Suk Yang、Gi Heon Kim、Lee-Mi Do、Taehyoung Zyung、Jouhahn Lee、Yongsup Park

  DOI：10.1016/s0040-4020(03)00371-5

  日期：2003.4

  Three new octyloxy substituted spirobifluorenes, 2,7-diphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DPBSBF, 1a), 2,7-di-biphenyl-3',6'-bis(octyloxy)-9,9'-spirobifluorene (DBBSBF, 1b) and 2,7-diterphenyl-3,6'-bis(octyloxy)-9,9'-spirobifluorene (DTBSBF, 1c) were prepared. All the compounds had been fully characterized by H-1 and C-13 NMR, UV-Vis, DSC, mass spectrometry and gave satisfactory elemental analyses. They possessed good solubility in common organic solvents and good homogeneous film formation. The optical energy band gap of DBBSBF was 3.27 eV between the HOMO energy level, 5.85 eV, measured by UPS and the LUMO, 2.58 eV, calculated from absorption spectrum. A blue organic light emitting diode (OLED) based on the structure of ITO/TPD (60 nm)/DBBSBF (40 nm)/Alq(3) (20 nm)/LiF (1 nm)/Al (100 run) showed good performance. The luminance of 3125 cd/m(2) was observed at a drive voltage of 12.8 V and the colour coordinate in CIE chromaticity was (0.14, 0.12). The external quantum efficiency was obtained to be 2.8% at 100 cd/m(2). (C) 2003 Elsevier Science Ltd. All rights reserved.