2-Anthracen-9-yl-6-[[2,4,6-tris[3,5-bis(trifluoromethyl)phenyl]phenyl]iminomethyl]phenol | 1448300-02-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 2-Anthracen-9-yl-6-[[2,4,6-tris[3,5-bis(trifluoromethyl)phenyl]phenyl]iminomethyl]phenol
• CAS: 1448300-02-4
• 化学式: C₅₁H₂₅F₁₈NO
• 分子量: 1009.74
• InChiKey: JBFDOCQANOGSHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.2
• 重原子数：
  71
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  dimethyl(tetramethylethylenediamine)nickel(II) 、 2-Anthracen-9-yl-6-[[2,4,6-tris[3,5-bis(trifluoromethyl)phenyl]phenyl]iminomethyl]phenol 、 trisodium tris(3-sulfophenyl)phosphine 、 N,N-二甲基甲酰胺 反应 0.83h， 以81%的产率得到[[(2,4,6-(3,5-(CF₃)₂C₆H₃)₃-C₆H₂)-N=C(H)-(3-(9-anthryl)-2-O-C6H3)-κ²-N,O]Ni(CH₃)(tri(sodiumphenylsulfonate)phosphine)]*DMF
  参考文献：
  名称：

  Ideal Polyethylene Nanocrystals

  摘要：

  The water-soluble catalyst precursor [[(2,4,6-(3,5-(CF3)(2)C6H3)(3)-C6H2)-N=C(H)-(3-(9-anthry1)-2-O-C61-13)-kappa(2)-N,0]Ni(CH3)(TPPTS)] (TPPTS = tri-(sodiumphenylsulfonate)phosphine) polymerizes ethylene to aqueous dispersions of highly ordered nanoscale crystals (crystallinity chi(DSC) >= 9096) of strictly linear polyethylene (<0.7 methyl-branches/1000 carbon atoms, Mu = 4.2 x 105 g mol(-1)). SAXS in combination with cryo-TEM confirms this unusually high degree of order (chi(SAXS) = 82%) and shows the nanoparticles to possess a very thin amorphous layer on the crystalline lamella, just sufficient to accommodate a loop, but likely no entanglements. This ideal chain-folded structure is corroborated by annealing studies on the aqueous-dispersed nanoparticles, which show that the chain can move through the crystal as evidenced by lamella thickening without disturbing the crystalline order as concluded from an unaltered low thickness of the amorphous layers. These ideal chain-folded polyethylene nanocrystals arise from the crystallization in the confined environment of a nanoparticle and a deposition of the growing polymer chain on the crystal growth front as the chain is formed by the catalyst.

  DOI：

  10.1021/ja4052334
• 作为产物：
  描述：

  5'-(3,5-bis(trifluoromethyl)phenyl)-3,3'',5,5''-tetrakis(trifluoromethyl)-[1,1':3',1''-terphenyl]-2'-amine 、 3-蒽-9-基-2-羟基苯甲醛 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以72%的产率得到2-Anthracen-9-yl-6-[[2,4,6-tris[3,5-bis(trifluoromethyl)phenyl]phenyl]iminomethyl]phenol
  参考文献：
  名称：

  Ideal Polyethylene Nanocrystals

  摘要：

  The water-soluble catalyst precursor [[(2,4,6-(3,5-(CF3)(2)C6H3)(3)-C6H2)-N=C(H)-(3-(9-anthry1)-2-O-C61-13)-kappa(2)-N,0]Ni(CH3)(TPPTS)] (TPPTS = tri-(sodiumphenylsulfonate)phosphine) polymerizes ethylene to aqueous dispersions of highly ordered nanoscale crystals (crystallinity chi(DSC) >= 9096) of strictly linear polyethylene (<0.7 methyl-branches/1000 carbon atoms, Mu = 4.2 x 105 g mol(-1)). SAXS in combination with cryo-TEM confirms this unusually high degree of order (chi(SAXS) = 82%) and shows the nanoparticles to possess a very thin amorphous layer on the crystalline lamella, just sufficient to accommodate a loop, but likely no entanglements. This ideal chain-folded structure is corroborated by annealing studies on the aqueous-dispersed nanoparticles, which show that the chain can move through the crystal as evidenced by lamella thickening without disturbing the crystalline order as concluded from an unaltered low thickness of the amorphous layers. These ideal chain-folded polyethylene nanocrystals arise from the crystallization in the confined environment of a nanoparticle and a deposition of the growing polymer chain on the crystal growth front as the chain is formed by the catalyst.

  DOI：

  10.1021/ja4052334