3,6-bis(hexadecyloxy)phthalonitrile | 107215-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,6-bis(hexadecyloxy)phthalonitrile
• 英文别名: 3,6-di(hexadecyloxy)phthalonitrile；3,6-di(hexadecyloxy)phtalonitrile；3,6-dihexadecoxybenzene-1,2-dicarbonitrile
• CAS: 107215-20-3
• 化学式: C₄₀H₆₈N₂O₂
• 分子量: 608.992
• InChiKey: XDIMXTGICPUFLP-UHFFFAOYSA-N

物化性质

• 沸点：
  702.0±60.0 °C(Predicted)
• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  44
• 可旋转键数：
  32
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-硝基邻苯二腈 、 3,6-bis(hexadecyloxy)phthalonitrile 在 lithium hexan-1-olate 作用下， 以 正己醇 为溶剂， 反应 4.0h， 以8%的产率得到1,8-dinitro-15,18,22,25-tetrakis(hexadecyloxy)phthalocyanine
  参考文献：
  名称：

  Highly selective synthesis of unsymmetrical phthalocyanines from 3,6-Bis(hexadecyloxy)phthalonitrile and their spectral characteristics

  摘要：

  3,6-Bis(hexadecyloxy)phthalonitrile (A) reacted with 3-nitrophthalonitrile or 4-bromophthalonitrile (B) to produce AABB and ABAB type phthalocyanines with high selectivity. Spectral properties of the synthesized compounds were studied.

  DOI：

  10.1134/s1070428013040209
• 作为产物：
  描述：

  3,6-二羟基邻苯二甲腈 、 溴代十六烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以98%的产率得到3,6-bis(hexadecyloxy)phthalonitrile
  参考文献：
  名称：

  Highly selective synthesis of unsymmetrical phthalocyanines from 3,6-Bis(hexadecyloxy)phthalonitrile and their spectral characteristics

  摘要：

  3,6-Bis(hexadecyloxy)phthalonitrile (A) reacted with 3-nitrophthalonitrile or 4-bromophthalonitrile (B) to produce AABB and ABAB type phthalocyanines with high selectivity. Spectral properties of the synthesized compounds were studied.

  DOI：

  10.1134/s1070428013040209

文献信息

• Sandwich complexes of lutetium with tetraanthraquinoneporphyrazine and asymmetric alkoxy-substituted phthalocyanines. Preparation and spectral properties
  作者：A. V. Borisov、M. V. Korel’chuk、N. E. Galanin、G. P. Shaposhnikov

  DOI：10.1134/s1070363214050284

  日期：2014.5

  Interaction of 3,6-di(hexadecyloxy)phthalonitrile with tetrachlorophthalonitrile and lutetium chloride in alcoholic medium yields lutetium complexes with asymmetric phthalocyanines. Their heating with dinitrile of anthraquinone-2,3-dicarboxylic acid gives the sandwich complexes containing fragments of tetraanthraquinoneporphyrazine and asymmetric phthalocyanines; their spectral properties has been studied.
• Copper, cobalt, and nickel complexes with unsymmetrical porphyrazines based on 3,6-di(hexadecyloxy)phthalonitrile and anthraquinone-2,3-dicarboxylic imide. Synthesis and spectral properties
  作者：A. V. Borisov、D. E. Efimov、N. E. Galanin、G. P. Shaposhnikov

  DOI：10.1134/s1070363217100152

  日期：2017.10

  Copper, cobalt, and nickel complexes with A(3)B, AABB (sic) ABAB unsymmetrical porphyrazines have been synthesized via the reaction between 3,6-di(hexadecyloxy) phthalonitrile (component.), anthraquinone-2,3-dicarboxylic imide (component.), and the corresponding metal acetate in the presence of urea. Spectral properties of the synthesized compounds have been studied.
• ——
  作者：ITIMURA KUNIXIRO、 ONO OSAMU、 SASAKI TOSIKI

  DOI：——

  日期：——