3,3',5,5'-tetrakis(4'-formylbiphenyl-4-yl)bimesityl | 868046-60-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,3',5,5'-tetrakis(4'-formylbiphenyl-4-yl)bimesityl
• 英文别名: 3,3',5,5'-tetrakis(4-(4'-formyl)biphenyl)bimesityl；5",5"'-Bis(4'-formyl-[1,1'-biphenyl]-4-yl)-2",2"',4",4"',6",6"'-hexamethyl-[1,1':4',1":3",1"':3"',1"":4"",1""'-sexiphenyl]-4,4""'-dicarbaldehyde；4-[4-[3-[3,5-bis[4-(4-formylphenyl)phenyl]-2,4,6-trimethylphenyl]-5-[4-(4-formylphenyl)phenyl]-2,4,6-trimethylphenyl]phenyl]benzaldehyde
• CAS: 868046-60-0
• 化学式: C₇₀H₅₄O₄
• 分子量: 959.196
• InChiKey: FXYSFSBCWKVJDN-UHFFFAOYSA-N

物化性质

• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  74
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	bimesityl	4482-03-5	C18H22	238.373

反应信息

• 作为反应物：
  描述：

  3,3',5,5'-tetrakis(4'-formylbiphenyl-4-yl)bimesityl 在 Oxone 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以82%的产率得到3,3',5,5'-tetrakis(4'-carboxybiphenyl-4-yl)bimesityl
  参考文献：
  名称：

  Three-Dimensional Four-Connecting Organic Scaffolds with a Twist:  Synthesis and Self-Assembly

  摘要：

  We have synthesized a novel class of four-connecting three-dimensional molecular scaffolds 2-5 based on biaryls for supramolecular self-assembly. The X-ray crystal structure analysis of 2 with ethanol reveals a novel O-H center dot center dot center dot O hydrogen-bonded helical self-assembly in three dimensions leading to the generation of channels in the crystal lattice, The tetraacid 3 also forms analogous channels in which the solvent molecules, viz., DMSO and H2O, reside. The structures of 2 and 3 amply illustrate the potential of three-dimensional four-connecting biaryls in developing functional mimics of inorganic zeolites.

  DOI：

  10.1021/jo051205z
• 作为产物：
  描述：

  4’-溴-[1,1’-联苯]-4-甲醛 在 四(三苯基膦)钯 、 正丁基锂 、 碳酸氢钠 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 20.5h， 生成 3,3',5,5'-tetrakis(4'-formylbiphenyl-4-yl)bimesityl
  参考文献：
  名称：

  Three-Dimensional Four-Connecting Organic Scaffolds with a Twist:  Synthesis and Self-Assembly

  摘要：

  We have synthesized a novel class of four-connecting three-dimensional molecular scaffolds 2-5 based on biaryls for supramolecular self-assembly. The X-ray crystal structure analysis of 2 with ethanol reveals a novel O-H center dot center dot center dot O hydrogen-bonded helical self-assembly in three dimensions leading to the generation of channels in the crystal lattice, The tetraacid 3 also forms analogous channels in which the solvent molecules, viz., DMSO and H2O, reside. The structures of 2 and 3 amply illustrate the potential of three-dimensional four-connecting biaryls in developing functional mimics of inorganic zeolites.

  DOI：

  10.1021/jo051205z

文献信息

• Nondoped Pure-Blue OLEDs Based on Amorphous Phenylenevinylene-Functionalized Twisted Bimesitylenes
  作者：Jarugu Narasimha Moorthy、Parthasarathy Venkatakrishnan、Palani Natarajan、Zhenghuan Lin、Tahsin J. Chow

  DOI：10.1021/jo1001565

  日期：2010.4.16

  The twisted bimesitylene scaffold hinders crystallization and imparts amorphous nature to the oligophenylenevinylenes (OPVs) generated by 2- and/or 4-fold functionalization. The resultant phenylenevinylenes 1-5 with unique molecular topology exhibit excellent thermal and solid-state luminescence properties. The amorphous nature permits their application as pure-blue emissive materials in OLEDs. Under nondoped conditions, the device performances observed surpass those for analogous and simple oligophenylenevinylenes known so far; for example, the device based on OPV 2 as an emitting material and structurally analogous Bim-DPAB as a hole-transporting material yields pure-blue electroluminescence with an external quantum efficiency of ca. 4.70% at 20 mA/cm(2), which is higher than those reported for nondoped pure-blue OPV emitters.
• Three-Dimensional Four-Connecting Organic Scaffolds with a Twist:  Synthesis and Self-Assembly
  作者：Jarugu Narasimha Moorthy、Ramalingam Natarajan、Paloth Venugopalan

  DOI：10.1021/jo051205z

  日期：2005.10.1

  We have synthesized a novel class of four-connecting three-dimensional molecular scaffolds 2-5 based on biaryls for supramolecular self-assembly. The X-ray crystal structure analysis of 2 with ethanol reveals a novel O-H center dot center dot center dot O hydrogen-bonded helical self-assembly in three dimensions leading to the generation of channels in the crystal lattice, The tetraacid 3 also forms analogous channels in which the solvent molecules, viz., DMSO and H2O, reside. The structures of 2 and 3 amply illustrate the potential of three-dimensional four-connecting biaryls in developing functional mimics of inorganic zeolites.