1,3-didodecoxypropan-2-amine | 195732-81-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-didodecoxypropan-2-amine
• CAS: 195732-81-1
• 化学式: C₂₇H₅₇NO₂
• 分子量: 427.755
• InChiKey: UHZBWCVXAQUXFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.19
• 重原子数：
  30.0
• 可旋转键数：
  26.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.48
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,3-didodecoxypropan-2-amine 在 碳酸氢钠 作用下， 以 1,4-二氧六环 为溶剂， 反应 64.0h， 生成
  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 palladium on activated charcoal sodium azide 、 氢气 作用下， 以 甲醇 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 1,3-didodecoxypropan-2-amine
  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