N-butyl-5-[N-[[[3-[N-[[[5-(N-butyl-C-hydroxycarbonimidoyl)-2,4-bis(2-dodecylimino-2-hydroxyethoxy)phenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2-methoxyphenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2,4-bis(2-dodecylimino-2-hydroxyethoxy)benzenecarboximidic acid | 1198616-66-8

• 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-butyl-5-[N-[[[3-[N-[[[5-(N-butyl-C-hydroxycarbonimidoyl)-2,4-bis(2-dodecylimino-2-hydroxyethoxy)phenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2-methoxyphenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2,4-bis(2-dodecylimino-2-hydroxyethoxy)benzenecarboximidic acid
• CAS: 1198616-66-8
• 化学式: C₈₉H₁₄₆N₁₀O₁₅
• 分子量: 1596.2
• InChiKey: LGBKQWUTNDNSKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.4
• 重原子数：
  114
• 可旋转键数：
  69
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  337
• 氢给体数：
  10
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  、 2-甲氧基间苯二甲酸 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， 以68%的产率得到N-butyl-5-[N-[[[3-[N-[[[5-(N-butyl-C-hydroxycarbonimidoyl)-2,4-bis(2-dodecylimino-2-hydroxyethoxy)phenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2-methoxyphenyl]-hydroxymethylidene]amino]-C-hydroxycarbonimidoyl]-2,4-bis(2-dodecylimino-2-hydroxyethoxy)benzenecarboximidic acid
  参考文献：
  名称：

  Hydrogen bonded aromatic hydrazide foldamers for the self-assembly of vesicles and gels

  摘要：

  This paper describes an investigation of the structural and side-chain factors for the formation of vesicles and gels by hydrogen bonding-mediated aromatic hydrazide foldamers. Six foldamers; and one straight analog that bear discrete side chains have been synthesized. SEM and AFM studies reveal that the molecules with the appended 2-(2-(dialkyl-amino)-2-oxoethylamino)-2-oxoethoxyl chains form vesicles, hydrogels or organogels, depending on the solvents. Both the inner amide units and the terminal N,N-dialkylamide units in the chains are revealed to play essential roles in controlling the self-assembly. The former facilitates it by forming the intermolecular hydrogen bonding, while the latter modulates it by providing solubility and balancing the hydrophobicity of the whole molecules in solvents of varying polarity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.097

文献信息

• Hydrogen bonded aromatic hydrazide foldamers for the self-assembly of vesicles and gels
  作者：Li-Yan You、Gui-Tao Wang、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1016/j.tet.2009.07.097

  日期：2009.11

  This paper describes an investigation of the structural and side-chain factors for the formation of vesicles and gels by hydrogen bonding-mediated aromatic hydrazide foldamers. Six foldamers; and one straight analog that bear discrete side chains have been synthesized. SEM and AFM studies reveal that the molecules with the appended 2-(2-(dialkyl-amino)-2-oxoethylamino)-2-oxoethoxyl chains form vesicles, hydrogels or organogels, depending on the solvents. Both the inner amide units and the terminal N,N-dialkylamide units in the chains are revealed to play essential roles in controlling the self-assembly. The former facilitates it by forming the intermolecular hydrogen bonding, while the latter modulates it by providing solubility and balancing the hydrophobicity of the whole molecules in solvents of varying polarity. (C) 2009 Elsevier Ltd. All rights reserved.