3-(16-dodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)propanenitrile | 1269827-58-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(16-dodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)propanenitrile
• CAS: 1269827-58-8
• 化学式: C₂₇H₅₃N₃O₄
• 分子量: 483.736
• InChiKey: XTPLGKPFNREMET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  67.19
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-(16-dodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)propanenitrile 在 dipotassium hydrogenphosphate 、 氢气 、 钯 作用下， 反应 20.0h， 生成 2-[(8-amino-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl)amino]-N-[3-(16-dodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propyl]acetamide
  参考文献：
  名称：

  Synthesis and characterization of an amphiphilic cobalt cage complex with aza-crown spacer

  摘要：

  The synthesis, spectrophotometric and surfactant properties of a novel amphiphilic cobalt cage metallosurfactant with an aza-oxa crown ether spacer and dodecyl hydrocarbon tail are reported. Surface pressure isotherms with Group I and Group II metal solution subphases indicate increasing interaction of the crown moiety with Ca2+, Na+, K+, Li+/Ba2+ and Mg2+ ions in that order, with mean molecular areas of the effective head group at the surface ranging from 141 angstrom(2) to 219 angstrom(2). The critical micelle concentrations determined by surface tension measurements of the unmetallated ligand and the metallosurfactant are 1.98 mM and 0.66 mM respectively. Wormlike micelles and vesicles are observed with atomic force microscopy after multilayer Langmuir Blodgett film deposition on a glass substrate. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.09.036
• 作为产物：
  描述：

  在 palladium on activated charcoal 、 氢气 作用下， 反应 20.0h， 生成 3-(16-dodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)propanenitrile
  参考文献：
  名称：

  Interfacial response of a novel gemini metallo-surfactant to ionic guest species

  摘要：

  The surface properties of a novel metallosurfactant with twin dodecyl aza-crown aliphatic tails (13) were studied by surface pressure isotherms on aqueous subphases of selected Group I and Group II metals. Mean molecular areas of the headgroup at the monolayer interface (gas phase) are observed to decrease in response to aqueous phase complexation of 13 by metal ions in the order Ca2+, Li+, Mg2+, Na+, Ba2+ and K+. The surface-tension derived critical micelle concentration of 13 at 25 C was 0.072 mM, while atomic force microscopy of aggregates observed after preparing Langmuir Blodgett multilayers on mica confirmed the formation of vesicles of up to 100 nm diameter, as opposed to wormlike micelles formed by the monomeric analogs. (C) Elsevier B.V. All Rights Reserved

  DOI：

  10.1016/j.inoche.2014.02.006