methyl 5-(butylcarbamoyl)-2,4-bis(2-((2-(diethylamino)-2-oxoethyl)amino)-2-oxoethoxy)benzoate | 1198616-75-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 5-(butylcarbamoyl)-2,4-bis(2-((2-(diethylamino)-2-oxoethyl)amino)-2-oxoethoxy)benzoate
• CAS: 1198616-75-9
• 化学式: C₂₉H₄₅N₅O₉
• 分子量: 607.704
• InChiKey: KHXNRMSFSSQMPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  43.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  172.68
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  methyl 5-(butylcarbamoyl)-2,4-bis(2-((2-(diethylamino)-2-oxoethyl)amino)-2-oxoethoxy)benzoate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 13.0h， 以60%的产率得到
  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
• 作为产物：
  描述：

  N-chloroacetyl-glycine diethylamide 、 Methyl 5-(butylcarbamoyl)-2,4-dihydroxybenzoate 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 10.0h， 以49%的产率得到methyl 5-(butylcarbamoyl)-2,4-bis(2-((2-(diethylamino)-2-oxoethyl)amino)-2-oxoethoxy)benzoate
  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