4-[2-[Bis[3-[2-[bis[3-[2-(butanoylamino)ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-4-oxobutanoic acid | 1078118-54-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[2-[Bis[3-[2-[bis[3-[2-(butanoylamino)ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-4-oxobutanoic acid
• CAS: 1078118-54-3
• 化学式: C₅₂H₉₆N₁₄O₁₃
• 分子量: 1125.42
• InChiKey: VHWXLFFIIFASJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.1
• 重原子数：
  79
• 可旋转键数：
  50
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  367
• 氢给体数：
  12
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  丁二酸酐 、 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 7.0h， 以40%的产率得到4-[2-[Bis[3-[2-[bis[3-[2-(butanoylamino)ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-4-oxobutanoic acid
  参考文献：
  名称：

  Butylamide-terminated poly(amidoamine) dendritic gelators

  摘要：

  Butylamide-terminated poly(amidoamine) dendrons with either a Boc group (C-n (n = 1, 2, 3)) or a carboxyl group (E-n (n = 1, 2)) at the focal point, as a new kind of dendritic gelators, were synthesized and their gelation properties were studied by TEM, WAXD, SAXS, NMR,and FTIR spectroscopy. It was found that the Structure of focal groups impacted greatly on their gelation ability and the dendrons with higher generations facilitated the gel phase assembly. Hydrogen-bonding and hydrophobic interactions were proved to be the main driving forces responsible for the fibrous assembly with the diameter in the range of 30-100 nm. The molecular packing pattern of the xerogels of C-2, C-3, E-1, and E-2 all showed a lamellar structure, which was revealed by WAXD and SAXS. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.08.008