N-[2-(4,5-二氢-2-十一烷基-1H-咪唑-1-基)乙基]十二碳酰胺 | 71141-89-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: N-[2-(4,5-二氢-2-十一烷基-1H-咪唑-1-基)乙基]十二碳酰胺
• 中文别名: 2(1H)-嘧啶酮,四氢-1-(2-甲基-1-羰基丙基)-
• 英文名称: N-(2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)dodecanamide
• 英文别名: 1-(2-dodecylamidoethyl)-2-undecyl-2-imidazoline；N-(2-(4,5-Dihydro-2-undecyl-1H-imidazol-1-yl)ethyl)dodecanamide；N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide
• CAS: 71141-89-4
• 化学式: C₂₈H₅₅N₃O
• 分子量: 449.764
• InChiKey: HGHDDUWCTTUOMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  32
• 可旋转键数：
  23
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  月桂酸 、 二乙烯三胺 在 calcium oxide 作用下， 反应 0.07h， 以89%的产率得到N-[2-(4,5-二氢-2-十一烷基-1H-咪唑-1-基)乙基]十二碳酰胺
  参考文献：
  名称：

  Synthesis and biological evaluation of fatty imidazolines

  摘要：

  DOI：

  10.1007/s00044-014-0936-x

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