1-(5-ethyl-4-oxo-3-azanonyl)-2-(1-ethylpentyl)-4,5-dihydroimidazole | 2630-77-5

• 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: 1-(5-ethyl-4-oxo-3-azanonyl)-2-(1-ethylpentyl)-4,5-dihydroimidazole
• 英文别名: 1-(2-ethylhexylamidoethyl)-2-(1-ethylpentyl)-2-imidazoline；2-ethyl-N-[2-(2-heptan-3-yl-4,5-dihydroimidazol-1-yl)ethyl]hexanamide
• CAS: 2630-77-5
• 化学式: C₂₀H₃₉N₃O
• 分子量: 337.549
• InChiKey: IFUMBULPEAZYTB-UHFFFAOYSA-N

物化性质

• 沸点：
  182-185 °C(Press: 2 Torr)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  24.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  44.7
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-乙基-己酸稀土盐 生成 1-(5-ethyl-4-oxo-3-azanonyl)-2-(1-ethylpentyl)-4,5-dihydroimidazole
  参考文献：
  名称：

  1,2-二取代咪唑啉在水性介质中的水解

  摘要：

  通过紫外光谱研究了 1,2-二取代咪唑啉在水性介质中的水解动力学（pH 2.0-12.5，T = 25-90 °C）。鉴定了水解产物。将支链取代基引入咪唑啉环的 2 位可提高化合物的水解稳定性。讨论了pH值对咪唑啉水解速率的影响。

  DOI：

  10.1023/b:rucb.0000037846.18796.e8

文献信息

• Synthesis and physicochemical properties of 1-(2-alkylamidoethyl)-2-alkyl-2-imidazolines based on α,α′-branched carboxylic acids
  作者：S. O. Bondareva、Yu. I. Murinov

  DOI：10.1134/s1070363213020229

  日期：2013.2

  Condensation of diethylenetriamine with lauric, 2-ethylhexanoic, and alpha,alpha'-branched C-10,C-12-carboxylic acids results in 1-(2-alkylamidoethyl)-2-alkyl-2-imidazolines. A stability of the synthesized compounds relative to the acid and alkaline hydrolysis was studied. Their protonation constants were determined. The effect of the structure of the alkyl substituents on the distribution of the substance between the organic and aqueous phases was examined. The principal possibility of extracting Zn(II), Fe(III), Cu(II), Co(II), Mn(II) chlorides from hydrochloric acid solutions was shown. A mixture of 1-(2-alkylamidoethyl)-2-alkyl-2-imidazolines based on the alpha,alpha'-branched carboxylic acids was suggested as a potential extractant of the metal salts from hydrochloric acid and chloride solutions. DOI: 10.1134/S1070363213020229
• Synthesis and spectral properties of shielded 1,2-disubstituted imidazolines
  作者：S. O. Bondareva、V. V. Lisitskii、Yu. I. Murinov、L. M. Khalilov、E. V. Vasil'eva

  DOI：10.1007/bf00958572

  日期：1991.4

  Shielded 1,2-disubstituted imidazolines were synthesized by condensation of diethylenetriamine with 2-ethylhexanoic acid. UV, IR and H-1 and C-13 NMR spectral data were discussed. The effect was studied of alpha branching in an alkyl substituent at the 2 position of the imidazoline ring on the spectral parameters of the synthesized compounds.
• ——
  作者：S. O. Bondareva、Yu. L. Murinov、L. V. Spirikhin

  DOI：10.1023/a:1009519924735

  日期：——

  The protonation constants for the products of condensation of 2-ethylhexanoic acid with diethylenetriamine or triethylenetetramine were determined by potentiometric titration. The sequence of protonation of the nitrogen atoms in the imidazoline ring was found from the UV, IR, and C-13 NMR spectra.