4-[6-(tetrahydro-pyran-2-yloxy)hexyloxy]phthalonitrile | 83577-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[6-(tetrahydro-pyran-2-yloxy)hexyloxy]phthalonitrile
• 英文别名: 4-[6-(oxan-2-yloxy)hexoxy]benzene-1,2-dicarbonitrile
• CAS: 83577-72-4
• 化学式: C₁₉H₂₄N₂O₃
• 分子量: 328.411
• InChiKey: XVGPHABMGXLPNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  75.27
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-[6-(tetrahydro-pyran-2-yloxy)hexyloxy]phthalonitrile 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以63%的产率得到4-(6-hydroxyhexyloxy)phthalonitrile
  参考文献：
  名称：

  Synthesis and self-assembly of phthalocyanines bearing sulfur-containing substituents

  摘要：

  Asymmetrically substituted phthalocyanines with sulfur-containing substituents for fabrication of self-assembled monolayers were synthesized. Phthalocyanine 7, bearing a disulfide group, was synthesized from phthalocyanine with a hydroxyl group, which was prepared via mixed condensation of the corresponding substituted phthalonitriles. Phthalocyanine 10, bearing an acetyl protected thiol group, was synthesized through the Pd-catalyzed coupling reaction of an iodophthalocyanine. Their self-assembling behavior on gold substrates was further studied by UV-vis spectroscopy. (C) 2013 Xue-Bin Huang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.10.034
• 作为产物：
  描述：

  6-(tetrahydro-2H-pyranyloxy)hexan-1-ol 、 4-硝基邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到4-[6-(tetrahydro-pyran-2-yloxy)hexyloxy]phthalonitrile
  参考文献：
  名称：

  Synthesis and self-assembly of phthalocyanines bearing sulfur-containing substituents

  摘要：

  Asymmetrically substituted phthalocyanines with sulfur-containing substituents for fabrication of self-assembled monolayers were synthesized. Phthalocyanine 7, bearing a disulfide group, was synthesized from phthalocyanine with a hydroxyl group, which was prepared via mixed condensation of the corresponding substituted phthalonitriles. Phthalocyanine 10, bearing an acetyl protected thiol group, was synthesized through the Pd-catalyzed coupling reaction of an iodophthalocyanine. Their self-assembling behavior on gold substrates was further studied by UV-vis spectroscopy. (C) 2013 Xue-Bin Huang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.10.034

文献信息

• The synthesis of a soluble, unsymmetrical phthalocyanine on a polymer support
  作者：Clifford C. Leznoff、Tse Wai Hall

  DOI：10.1016/s0040-4039(00)87523-1

  日期：1982.1
• LEZNOFF, C. C.;HALL, TSE, WAI, TETRAHEDRON LETT., 1982, 23, N 30, 3023-3026
  作者：LEZNOFF, C. C.、HALL, TSE, WAI

  DOI：——

  日期：——