N-[4-[2-[4-[2-[4-formamido-3,5-di(propan-2-yl)phenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,6-di(propan-2-yl)phenyl]formamide | 949079-66-7

• 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: N-[4-[2-[4-[2-[4-formamido-3,5-di(propan-2-yl)phenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,6-di(propan-2-yl)phenyl]formamide
• CAS: 949079-66-7
• 化学式: C₄₈H₆₄N₂O₂
• 分子量: 701.048
• InChiKey: LBHMXKBSJOEFQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  52
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[4-[2-[4-[2-[4-formamido-3,5-di(propan-2-yl)phenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,6-di(propan-2-yl)phenyl]formamide 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 以62%的产率得到
  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：

  1,4-dihexyl-2,5-diiodobenzene 、 3,5-diisopropyl-4-formamido-1-ethynylbenzene 在 copper(l) iodide 、 四(三苯基膦)钯 三乙胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成 N-[4-[2-[4-[2-[4-formamido-3,5-di(propan-2-yl)phenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,6-di(propan-2-yl)phenyl]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

文献信息

• Synthesis of oligo(phenyleneethynylene)s containing central pyromellitdiimide or naphthalenediimide groups and bearing terminal isocyanide groups: molecular components for single-electron transistors
  作者：Andreas Mayr、Muthialu Srisailas、Qun Zhao、Yuan Gao、Heidi Hsieh、Mahsa Hoshmand-Kochi、Natalie St. Fleur

  DOI：10.1016/j.tet.2007.05.116

  日期：2007.8

  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.