4-[6-(decylsulfanyl)hexyl]phthalonitrile | 1423709-78-7

• 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-[6-(decylsulfanyl)hexyl]phthalonitrile
• 英文别名: 4-(6-decylsulfanylhexyl)benzene-1,2-dicarbonitrile
• CAS: 1423709-78-7
• 化学式: C₂₄H₃₆N₂S
• 分子量: 384.629
• InChiKey: SRAJKFCSQMUCAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  27
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[6-(decylsulfanyl)hexyl]phthalonitrile 在 双氧水 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 20.0h， 以54%的产率得到4-[6-(decylsulfonyl)hexyl]phthalonitrile
  参考文献：
  名称：

  Synthesis of phthalonitriles containing ω-alkenyl, ω-(alkylsulfanyl)alkyl, and ω-(alkylsulfonyl)alkyl substituents and phthalocyanine derivatives based thereon

  摘要：

  Alkylation of phthalonitrile radical anion sodium salt with terminal alkenyl bromides (4-bromobut-1-ene, 5-bromopent-1-ene, and 6-bromohex-1-ene) gave the corresponding 4-alkenylphthalonitriles which reacted with alkanethiols (BuSH and n-C10H21SH) to produce 4-(omega-alkylsulfanylalkyl)phthalonitriles. Oxidation of the latter with hydrogen peroxide afforded 4-(omega-alkylsulfonylalkyl)phthtalonitriles. 4-Alkenyl- and 4-(omega-alkylsulfonylalkyl)phthalonitriles were brought into condensation with zinc(II) acetate to obtain the corresponding zinc phthalocyanines. DOI: 10.1134/S1070428013010235

  DOI：

  10.1134/s1070428013010235
• 作为产物：
  描述：

  1,2-二氰基苯 在 偶氮二异丁腈 、 氨 、 sodium 作用下， 反应 9.08h， 生成 4-[6-(decylsulfanyl)hexyl]phthalonitrile
  参考文献：
  名称：

  Synthesis of phthalonitriles containing ω-alkenyl, ω-(alkylsulfanyl)alkyl, and ω-(alkylsulfonyl)alkyl substituents and phthalocyanine derivatives based thereon

  摘要：

  Alkylation of phthalonitrile radical anion sodium salt with terminal alkenyl bromides (4-bromobut-1-ene, 5-bromopent-1-ene, and 6-bromohex-1-ene) gave the corresponding 4-alkenylphthalonitriles which reacted with alkanethiols (BuSH and n-C10H21SH) to produce 4-(omega-alkylsulfanylalkyl)phthalonitriles. Oxidation of the latter with hydrogen peroxide afforded 4-(omega-alkylsulfonylalkyl)phthtalonitriles. 4-Alkenyl- and 4-(omega-alkylsulfonylalkyl)phthalonitriles were brought into condensation with zinc(II) acetate to obtain the corresponding zinc phthalocyanines. DOI: 10.1134/S1070428013010235

  DOI：

  10.1134/s1070428013010235