4-(2-(2-(2-methoxyethoxy)ethoxy)ethylthio)phthalonitrile | 314263-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-(2-(2-methoxyethoxy)ethoxy)ethylthio)phthalonitrile
• 英文别名: 4-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]benzene-1,2-dicarbonitrile
• CAS: 314263-25-7
• 化学式: C₁₅H₁₈N₂O₃S
• 分子量: 306.386
• InChiKey: HDQTUONWFRSHRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(2-(2-(2-methoxyethoxy)ethoxy)ethylthio)phthalonitrile 在 N,N-二甲基乙醇胺 作用下， 反应 6.0h， 以28%的产率得到7,16,25,34-Tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31(36),32,34-nonadecaene
  参考文献：
  名称：

  Synthesis and Characterization of Novel Tetra- and Octa-Triethyleneoxysulfanyl Substituted Phthalocyanines Forming Lyotropic Mesophases

  摘要：

  Metal-free phthalocyanines and nickel phthalocyanines carrying four or eight oligo(ethyleneoxy)thia groups on peripheral positions have been synthesized from new phthalonitrile derivatives. These phthalocyanine derivatives were characterized both thermotropic and lyotropic mesophases by DSC and X-ray.

  DOI：

  10.1080/10587250008024800
• 作为产物：
  描述：

  三甘醇单甲醚 在 三溴化磷 、 potassium carbonate 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 49.0h， 生成 4-(2-(2-(2-methoxyethoxy)ethoxy)ethylthio)phthalonitrile
  参考文献：
  名称：

  Synthesis and Characterization of Novel Tetra- and Octa-Triethyleneoxysulfanyl Substituted Phthalocyanines Forming Lyotropic Mesophases

  摘要：

  Metal-free phthalocyanines and nickel phthalocyanines carrying four or eight oligo(ethyleneoxy)thia groups on peripheral positions have been synthesized from new phthalonitrile derivatives. These phthalocyanine derivatives were characterized both thermotropic and lyotropic mesophases by DSC and X-ray.

  DOI：

  10.1080/10587250008024800