N-(4-((4-((4-(3,3-diethyltriaz-1-en-1-yl)-2,5-dihexylphenyl)ethynyl)-2,5-dihexylphenyl)ethynyl)-2,6-diisopropylphenyl)formamide | 949079-73-6

• 分子结构分类: 有机化合物
• 英文名称: N-(4-((4-((4-(3,3-diethyltriaz-1-en-1-yl)-2,5-dihexylphenyl)ethynyl)-2,5-dihexylphenyl)ethynyl)-2,6-diisopropylphenyl)formamide
• CAS: 949079-73-6
• 化学式: C₅₇H₈₄N₄O
• 分子量: 841.32
• InChiKey: IOJFYUUYVCIZLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.13
• 重原子数：
  62.0
• 可旋转键数：
  28.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  57.06
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-((4-((4-(3,3-diethyltriaz-1-en-1-yl)-2,5-dihexylphenyl)ethynyl)-2,5-dihexylphenyl)ethynyl)-2,6-diisopropylphenyl)formamide 在 碘甲烷 作用下， 反应 10.0h， 以72%的产率得到N-(4-((4-((2,5-dihexyl-4-iodophenyl)ethynyl)-2,5-dihexylphenyl)ethynyl)-2,6-diisopropylphenyl)formamide
  参考文献：
  名称：

  Synthesis of oligo(phenyleneethynylene)s containing central pyromellitdiimide or naphthalenediimide groups and bearing terminal isocyanide groups: molecular components for single-electron transistors

  摘要：

  Oligo(phenyleneethynylene)s that are of variable length, contain a central arenediimide unit, either a pyromellitdiimide or a naphthalenediimide group, and are terminated by isocyanide groups have been prepared. The extended frameworks were assembled from appropriately functionalized arenediimide and areneformamide units whose lengths were adjusted by adding phenyleneethynylene units. Final transformation of the formamide groups into isocyanide groups gave the title compounds. Several isocyanide-terminated oligo(phenyleneethynylene)s without an arenediimide unit have also been prepared. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.116
• 作为产物：
  描述：

  3,5-diisopropyl-4-formamido-1-ethynylbenzene 在 copper(l) iodide 、 四(三苯基膦)钯 氢氧化钾 、 三乙胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 14.0h， 生成 N-(4-((4-((4-(3,3-diethyltriaz-1-en-1-yl)-2,5-dihexylphenyl)ethynyl)-2,5-dihexylphenyl)ethynyl)-2,6-diisopropylphenyl)formamide
  参考文献：
  名称：

  Synthesis of oligo(phenyleneethynylene)s containing central pyromellitdiimide or naphthalenediimide groups and bearing terminal isocyanide groups: molecular components for single-electron transistors

  摘要：

  Oligo(phenyleneethynylene)s that are of variable length, contain a central arenediimide unit, either a pyromellitdiimide or a naphthalenediimide group, and are terminated by isocyanide groups have been prepared. The extended frameworks were assembled from appropriately functionalized arenediimide and areneformamide units whose lengths were adjusted by adding phenyleneethynylene units. Final transformation of the formamide groups into isocyanide groups gave the title compounds. Several isocyanide-terminated oligo(phenyleneethynylene)s without an arenediimide unit have also been prepared. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.116