2-octoxy-N-[2-[4-octoxy-3-(undec-10-enylcarbamoyl)anilino]-2-oxoethyl]-5-(undec-10-enoylamino)benzamide | 1228757-77-4

• 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: 2-octoxy-N-[2-[4-octoxy-3-(undec-10-enylcarbamoyl)anilino]-2-oxoethyl]-5-(undec-10-enoylamino)benzamide
• CAS: 1228757-77-4
• 化学式: C₅₄H₈₆N₄O₆
• 分子量: 887.3
• InChiKey: VQRPJKQDLNVVSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  64
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-octoxy-N-[2-[4-octoxy-3-(undec-10-enylcarbamoyl)anilino]-2-oxoethyl]-5-(undec-10-enoylamino)benzamide 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以85%的产率得到
  参考文献：
  名称：

  Oligoamide Duplexes as Organogelators

  摘要：

  Oligoamide duplexes carrying multiple alkyl side chains were found to serve as gelators for aromatic solvents. The double-stranded backbone was essential for the hierarchical self-assembly of the molecular duplex into fibers of high aspect ratios. The demonstrated gelating abilities may be extended to a large family of analogous H-bonded duplexes having different H-bonding sequences, leading to a unique platform for developing a diverse variety of potential gelators based on a supramolecular and/or a dynamic covalent approach.

  DOI：

  10.1021/ol100953e
• 作为产物：
  描述：

  1-氨基-10-十一烯 、 2-(octyloxy)-5-(2-(2-(octyloxy)-5-undec-10-enamidobenzamido)acetamido)benzoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以88%的产率得到2-octoxy-N-[2-[4-octoxy-3-(undec-10-enylcarbamoyl)anilino]-2-oxoethyl]-5-(undec-10-enoylamino)benzamide
  参考文献：
  名称：

  Oligoamide Duplexes as Organogelators

  摘要：

  Oligoamide duplexes carrying multiple alkyl side chains were found to serve as gelators for aromatic solvents. The double-stranded backbone was essential for the hierarchical self-assembly of the molecular duplex into fibers of high aspect ratios. The demonstrated gelating abilities may be extended to a large family of analogous H-bonded duplexes having different H-bonding sequences, leading to a unique platform for developing a diverse variety of potential gelators based on a supramolecular and/or a dynamic covalent approach.

  DOI：

  10.1021/ol100953e