N-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)heptacosa-12,14-diynamide | 1334473-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)heptacosa-12,14-diynamide
• CAS: 1334473-79-8
• 化学式: C₃₉H₇₁NO₇
• 分子量: 665.995
• InChiKey: WVGDTWKQFNJTRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  47.0
• 可旋转键数：
  37.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  95.48
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  17-氨基-3,6,9,12,15-五氧杂十七烷醇 、 12,14-十七二炔酸 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 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以70%的产率得到N-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)heptacosa-12,14-diynamide
  参考文献：
  名称：

  Self-Assembled Nanotubes and Helical Tapes from Diacetylene Nonionic Amphiphiles. Structural Studies before and after Polymerization

  摘要：

  We synthesized new amphiphiles comprised of a single diacetylenic chain and an oligoethylenoxide polar chain linked by an amide bond. In aqueous medium, they are not soluble at room temperature but form weak gels. Electron microscopy studies have shown that they self-assemble into helical tapes or nanotubes with lengths of several micrometers, and inner and outer diameters of 50 +/- 1 and 59 +/- 1 nm, respectively. The wall has a thickness of 10 +/- 1 nm for both kinds of objects and has an amphiphile bilayer structure. The hydrophobic chains are ordered, and the amide groups are linked with each other by H-bonds. The dissociation of the tubes is a first-order transition with an enthalpy of ca. 40 kJ mol(-1). The nanotubes were photopolymerized to yield purple solutions consisting of helical tapes and almost flat ribbons. The polymers exhibit irreversible thermochromism upon heating.

  DOI：

  10.1021/la202162q