hexamethyl 4,4',4'',4''',4'''',4'''''-((triphenylene-2,3,6,7,10,11-hexaylhexakis(oxy))hexakis(methylene))hexabenzoate | 1325232-69-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: hexamethyl 4,4',4'',4''',4'''',4'''''-((triphenylene-2,3,6,7,10,11-hexaylhexakis(oxy))hexakis(methylene))hexabenzoate
• CAS: 1325232-69-6
• 化学式: C₇₂H₆₀O₁₈
• 分子量: 1213.26
• InChiKey: ZWPKYPYNILGRSA-UHFFFAOYSA-N

物化性质

• 熔点：
  105 °C
• 密度：
  1.308±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.34
• 重原子数：
  90.0
• 可旋转键数：
  24.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  213.18
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  hexamethyl 4,4',4'',4''',4'''',4'''''-((triphenylene-2,3,6,7,10,11-hexaylhexakis(oxy))hexakis(methylene))hexabenzoate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以60%的产率得到4-[[3,6,7,10,11-Pentakis[(4-carboxyphenyl)methoxy]triphenylen-2-yl]oxymethyl]benzoic acid
  参考文献：
  名称：

  The (salophen)-bridged Fe/Cr (III) capped complexes with triphenylene core: Synthesis and characterization

  摘要：

  This article describes synthesis of the difference carboxylic acid derivatives of triphenylene and its complexation properties with Fe/Cr (III)-salophen. For this purpose, the carboxylic acid derivatives of 2,3,6,7,10,11-hexahydroxytriphenylene were synthesized and then reacted with four new Fe(III) and Cr(III) complexes involving tetradenta Schiff bases bis(salicylidene)-o-phenylenediamine-(salophenH(2)). The prepared compounds were characterized by means of elemental analysis carrying out infrared spectroscopy (IR), thermogravimetric analysis (TG), nuclear magnetic resonance (H-1 NMR), elemental analysis and magnetic susceptibility measurement. The complexes can also be characterized as low-spin distorted octahedral Fe(III) and Cr (III) bridged by carboxylic acids. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.06.020
• 作为产物：
  描述：

  4-溴甲基苯甲酸甲酯 、 2,3,6,7,10,11-六羟基三苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 25.0h， 以72%的产率得到hexamethyl 4,4',4'',4''',4'''',4'''''-((triphenylene-2,3,6,7,10,11-hexaylhexakis(oxy))hexakis(methylene))hexabenzoate
  参考文献：
  名称：

  The (salophen)-bridged Fe/Cr (III) capped complexes with triphenylene core: Synthesis and characterization

  摘要：

  This article describes synthesis of the difference carboxylic acid derivatives of triphenylene and its complexation properties with Fe/Cr (III)-salophen. For this purpose, the carboxylic acid derivatives of 2,3,6,7,10,11-hexahydroxytriphenylene were synthesized and then reacted with four new Fe(III) and Cr(III) complexes involving tetradenta Schiff bases bis(salicylidene)-o-phenylenediamine-(salophenH(2)). The prepared compounds were characterized by means of elemental analysis carrying out infrared spectroscopy (IR), thermogravimetric analysis (TG), nuclear magnetic resonance (H-1 NMR), elemental analysis and magnetic susceptibility measurement. The complexes can also be characterized as low-spin distorted octahedral Fe(III) and Cr (III) bridged by carboxylic acids. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.06.020