2,2',2'',2'''-(((((9,9-dioctyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl))bis(5-methylbenzene-3,1,2-triyl))tetrakis(azaneylylidene))tetrakis(methaneylylidene))tetraphenol | 1257655-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,2',2'',2'''-(((((9,9-dioctyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl))bis(5-methylbenzene-3,1,2-triyl))tetrakis(azaneylylidene))tetrakis(methaneylylidene))tetraphenol
• CAS: 1257655-44-9
• 化学式: C₇₅H₇₄N₄O₄
• 分子量: 1095.44
• InChiKey: WGQZDPXDEJXTTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.7
• 重原子数：
  83.0
• 可旋转键数：
  22.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  130.36
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2,2'-(((3-bromo-5-methyl-1,2-phenylene)bis(azaneylylidene))bis(methaneylylidene))diphenol 、 2,7-diethynyl-9,9-dioctyl-9H-fluorene 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以71%的产率得到2,2',2'',2'''-(((((9,9-dioctyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl))bis(5-methylbenzene-3,1,2-triyl))tetrakis(azaneylylidene))tetrakis(methaneylylidene))tetraphenol
  参考文献：
  名称：

  π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties

  摘要：

  pi-Conjugated poly(aryleneethynylene)s consisting of N,N'-bis(salicylidene)-1,2-phenylenediamine (salophen) units (Poly-1-Poly-3) and salophen nickel complex units (Poly-1-Ni) were prepared in high yields by the palladium-catalyzed polycondensation of H--Ar--H (Ar = fluorene or 2,5-dialkoxy-p phenylene) with dibromo compounds of salophen (Br-2-Salophen) and its nickel complex (Br-2-Salophen-Ni), respectively The Ni free polymers (Poly-1-Poly-3) showed good solubility in CHCl3 and THF, had high thermal stability, and exhibited number average molecular weights (M-n) of 9200-14000 in GPC analysis The UV-vis spectra of the polymers showed pi-pi* transition peaks at about 420 nm which was comparable to those of poly(p-phenyleneethynylene)s The UV-vis spectrum of Poly-1-Ni exhibited additional intermediate and small peaks at about 480 and 600 nm, which were assigned to a charge transfer (CT) electronic transition and a d-d transition, respectively The complexation of Poly-1 with Ni2+ proceeded clearly and quantitatively to give Poly-1-Ni, as monitored by UV-vis spectroscopy Both the NI-free and Ni containing polymers were electrochemically active and CV (cyclic volammetry) scans of the polymers showed a reduction peak of the salophene unit at approximately -2 2 V vs Ag+/Ag and an oxidation peak of the salophene unit at about 0 8 V vs Ag+/Ag

  DOI：

  10.1021/ma101800f