15-azido-13,17-dioxanonacosane | 195732-79-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 15-azido-13,17-dioxanonacosane
• 英文别名: 1-(2-azido-3-dodecoxypropoxy)dodecane
• CAS: 195732-79-7
• 化学式: C₂₇H₅₅N₃O₂
• 分子量: 453.753
• InChiKey: VYPXAHIVNODBPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.54
• 重原子数：
  32.0
• 可旋转键数：
  27.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  67.22
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  15-azido-13,17-dioxanonacosane 在 palladium on activated charcoal 氢气 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醚 为溶剂， 反应 68.0h， 生成 6-Chloro-N-(2-dodecyloxy-1-dodecyloxymethyl-ethyl)-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  Effect of Melamine-Amphiphile Structure on the Extent of Two-Dimensional Hydrogen-Bonded Networks Incorporating Barbituric Acid

  摘要：

  AbstractFour alkyl melamine amphiphiles each containing identical triads of hydrogen‐bonding sites (hydrogen donor, acceptor, and donor) but different numbers of alkyl chains were examined in order to determine their monolayer properties and binding behavior towards barbituric acid (BA). Their structural organization in supramolecular assemblies at the air–water interface was affected by the bulkiness of the hydrophobic part of the amphiphile. Aqueous BA and amphiphiles with two or three alkyl chains formed a 1:1 alternate network structure. In contrast, a melamine amphiphile with four alkyl chains formed a 2:1 (BA:amphiphile) complex rather than a 1:1 alternate network structure. The 2:1 complex appears to behave like an independent molecular entity without further networking. The results point to the importance of size matching between the hydrophobic part of the monolayer and the underlying hydrogen‐bonded network in order to maintain the overall supramolecular structure.

  DOI：

  10.1002/chem.19970030715
• 作为产物：
  描述：

  Methanesulfonic acid 2-dodecyloxy-1-dodecyloxymethyl-ethyl ester 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到15-azido-13,17-dioxanonacosane
  参考文献：
  名称：

  A light-responsive liposomal agent for MRI contrast enhancement and monitoring of cargo delivery

  摘要：

  开发了一种脂质体MRI探针，可在光照作用下改变弛豫度并释放药物，用于诊断和监测药物输送。

  DOI：

  10.1039/c9cc05516a