Z-octadeca-9,12-dienoic acid diethylamide | 3140-46-3

• 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: Z-octadeca-9,12-dienoic acid diethylamide
• 英文别名: Linolensaeure-diethylamid；N,N-Diethyllinolamid；(9Z,12Z)-N,N-diethyloctadeca-9,12-dienamide
• CAS: 3140-46-3
• 化学式: C₂₂H₄₁NO
• 分子量: 335.574
• InChiKey: WKWQZNCYXVEZMK-XVTLYKPTSA-N

物化性质

• 熔点：
  43-44 °C
• 沸点：
  160-170 °C(Press: 0.03 Torr)
• 密度：
  0.875±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  24
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (Z,Z)-9,12-十八烷二烯酸二聚物 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 13.92h， 生成 Z-octadeca-9,12-dienoic acid diethylamide
  参考文献：
  名称：

  Synthesis, characterization and corrosion inhibition studies of polyunsaturated fatty acid derivatives on the acidic corrosion of mild steel: Experimental and computational studies

  摘要：

  In an effort to make an efficient and benign a for the purpose of acidizing, a novel range of new derivatives of polyunsaturated fatty acids (PUFA) were prepared from a group of amines and Z-9,12-octadecadienoic add with Excellent yields. Elemental analysis, FTIR, C-13 NMR and H-1 NMR was employed to realize a description for the newly manufactured compound. The inhibitive action of synthesized amides was examined by means of potentiodynamic polarization techniques and weight loss measurements in 1.00 M HCl. Derivatives of Z-9,12-octadecadienoic add amides (DA) were found to obey the Langmuir adsorption model The hydrophobic nature of mild steel (MS) was revealed by measurement of the contact angle in the presence of Cl. The experimental findings were found to be supported by quantum chemical calculations. Inhibition efficiencies were computed for various DA concentrations for inhibition against the wear of MS in 100.00 ml of 1.00 M Ha, with exposure for four days at temperatures ranging from 298 to 333 K. For a DA concentration of 100 ppm, every inhibitor molecule showed outstanding percentage inhibition efficiencies in 1.00 M HCl. Compounds 2, 3,4, 5, 6, 7, 8 and 9 offered a robust percentage inhibition efficiency of 92.90, 86.6, 49.8, 82.7, 85.9, 96.70, 9430 and 9130, correspondingly, at 100 ppm The interaction of the p-electrons in compounds with low-energy, empty Fe d-orbitals helped the inhibitive molecules (IMs) to experience adsorption and inhibit the process of anodic dissolution. When Tafel plots were employed for the compounds used in the electrochemical method, similar findings were obtained for the percentage inhibition efficiencies. Compound adsorption on the MS surface was discovered to obey Arrhenius and Transition state plots in 1.00 M HCl. (C) 2020 Elsevier LW. All rights reserved.

  DOI：

  10.1016/j.molliq.2020.114162

文献信息

• One pot direct synthesis of amides or oxazolines from carboxylic acids using Deoxo-Fluor reagent
  作者：Cyrous O. Kangani、David E. Kelley

  DOI：10.1016/j.tetlet.2005.10.068

  日期：2005.12

  A mild and highly efficient one pot-one step condensation and/or condensation-cyclization of various acids to amides and/or oxazolines using Deoxo-Fluor reagents is described. Parallel syntheses of various free fatty acids with 2-amino-2, 2-dimethyl-1-propanol resulted with excellent yields. (c) 2005 Elsevier Ltd. All rights reserved.
• Kraevskii,A.A. et al., Journal of general chemistry of the USSR, 1962, vol. 32, p. 3474 - 3476
  作者：Kraevskii,A.A. et al.

  DOI：——

  日期：——
• SKIN CARE COMPOSITION
  申请人：UNILEVER PLC

  公开号：EP1200059A1

  公开（公告）日：2002-05-02
• SKIN CARE COMPOSITION CONTAINING PETROSELINIC ACID
  申请人：UNILEVER PLC

  公开号：EP1200058B1

  公开（公告）日：2006-04-19
• A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE
  申请人：Dublin City University

  公开号：EP3297621A1

  公开（公告）日：2018-03-28