2-乙基己基十一碳-10-烯酸酯 | 110007-38-0

• 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: 2-乙基己基十一碳-10-烯酸酯
• 英文名称: 2-ethyl-hexyl undecylenate
• 英文别名: 10-undecenoic acid 2-ethylhexyl ester；2-ethylhexyl undecylenate；2-Ethylhexyl undec-10-enoate
• CAS: 110007-38-0
• 化学式: C₁₉H₃₆O₂
• 分子量: 296.494
• InChiKey: QIVJGFWGDVLWQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  21
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基己基十一碳-10-烯酸酯 在 吡啶 、 三氟甲磺酸 、 水 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.5h， 生成 2-ethylhexyl 10,11-bis[(3-methylbutanoyl)oxy]undecanoate
  参考文献：
  名称：

  [EN] ESTER COMPOUNDS INCLUDING TRIESTERS HAVING TERMINAL VICINAL ACYL GROUPS
  [FR] COMPOSÉS ESTERS COMPRENANT DES TRIESTERS AYANT DES GROUPES ACYLE TERMINAUX VICINAUX

  摘要：

  本文提供了某些酯类化合物，包括公式I中的化合物：公式I其中z是0到15之间的整数；对于每次出现，R1是一个选择性取代的饱和或不饱和的支链或非支链烷基；R2从氢和选择性取代的饱和或不饱和的支链或非支链烷基中选择。本文还描述了羟基化合物，这些化合物可能是合适的最终产物，或作为中间体，以提供所需的酯类产物。还描述了含有某些酯类化合物（例如三酯类）的组合物以及制备这些酯类化合物和组合物的方法。

  公开号：

  WO2016153938A1
• 作为产物：
  描述：

  2-乙基己醇 、 2-十一烯酸 在 甲烷磺酸 作用下， 反应 1.5h， 以100%的产率得到2-乙基己基十一碳-10-烯酸酯
  参考文献：
  名称：

  [EN] ESTER COMPOUNDS INCLUDING TRIESTERS HAVING TERMINAL VICINAL ACYL GROUPS
  [FR] COMPOSÉS ESTERS COMPRENANT DES TRIESTERS AYANT DES GROUPES ACYLE TERMINAUX VICINAUX

  摘要：

  本文提供了某些酯类化合物，包括公式I中的化合物：公式I其中z是0到15之间的整数；对于每次出现，R1是一个选择性取代的饱和或不饱和的支链或非支链烷基；R2从氢和选择性取代的饱和或不饱和的支链或非支链烷基中选择。本文还描述了羟基化合物，这些化合物可能是合适的最终产物，或作为中间体，以提供所需的酯类产物。还描述了含有某些酯类化合物（例如三酯类）的组合物以及制备这些酯类化合物和组合物的方法。

  公开号：

  WO2016153938A1

文献信息

• Pharmaceutical compositions for transdermal administration of anti-inflammatory agents
  申请人：——

  公开号：US20030152611A1

  公开（公告）日：2003-08-14

  The invention concerns a pharmaceutical composition for transdermal administration comprising: a polymeric release matrix capable of forming a soft film after drying, selected among cellulose polymers or copolymers, said matrix being present at a concentration not exceeding 6% of the composition weight; an active principle selected among the group of non-steroid anti-inflammatory agents comprising at least a metal carboxylic or carboxitate group; a transcutaneous absorption promoter of the active principle; water; and at least a physiologically acceptable non-aqueous solvent capable of dissolving the release matrix, the active principle and transcutaneous absorption promoter and to be rapidly eliminated by evaporation in contact with the skin.

  该发明涉及一种用于经皮给药的制药组合物，包括：一种聚合物释放基质，能够在干燥后形成软膜，所述基质从纤维素聚合物或共聚物中选择，所述基质的浓度不超过组合物重量的6％；选择自非甾体抗炎药物组中的活性成分，该组成分至少包括一种金属羧基或羧酸盐基团；活性成分的经皮吸收促进剂；水；以及至少一种生理上可接受的非水溶剂，能够溶解释放基质、活性成分和经皮吸收促进剂，并在与皮肤接触时通过蒸发迅速被消除。
• Synthesis, Characterization, and Evaluation of 10-Undecenoic Acid-Based Epithio Derivatives as Multifunctional Additives
  作者：Gorla Geethanjali、Korlipara V. Padmaja、Arukali Sammaiah、Rachapudi B. N. Prasad

  DOI：10.1021/jf5033558

  日期：2014.11.26

  Novel epithio compounds from alkyl epoxy undecanoates (n-alkyl, C-1, C-4, and C-6; isoalkyl, C-3, C-4, and C-8) were synthesized using an ammonium thiocyanate in ionic liquid 1-methylimidazolium tetrafluoroborate/H2O (2:1) solvent system in 8590% yields by gas chromatographic (GC) analysis. The synthesized products were characterized by H-1 and C-13 nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), gas chromatography, and GC mass spectral (GC-MS) analyses and evaluated for their antioxidant, extreme pressure (EP), and antiwear (AW) properties in three different base oils, namely, epoxy jatropha fatty acid n-butyl esters (EJB), di-2-ethylhexyl sebacate (DOS), and mineral oil (S-105). Among the synthesized products, n-butyl epithio undecanoate exhibited superior antioxidant property (229.2 degrees C) compared to butylated hydroxytoluene (BHT, 193.8 degrees C) in base oil DOS and comparable performance in EJB and S-105 base oils. All of the epithio derivatives exhibited significantly enhanced weld point for the base oils EJB and DOS at 2 wt % level and displayed moderate enhancement in S-105 base oil. Methyl epithio undecanoate at 0.6% concentration exhibited considerable improvement in the wear scar of DOS base oil. The synthesized epithio derivatives have potential as multifunctional additives in lubricant formulations.
• COMPOSITION PHARMACEUTIQUE FILMOGENE POUR ADMINISTRATION TRANSDERMIQUE
  申请人：SANOFI-SYNTHELABO

  公开号：EP0817621B1

  公开（公告）日：2001-06-20
• COMPOSITIONS PHARMACEUTIQUES POUR ADMINISTRATION TRANSDERMIQUE D' AGENTS ANTI-INFLAMMATOIRES
  申请人：SANOFI

  公开号：EP1283704B1

  公开（公告）日：2013-12-18
• ESTER COMPOUNDS INCLUDING TRIESTERS HAVING TERMINAL VICINAL ACYL GROUPS
  申请人：BIOSYNTHETIC TECHNOLOGIES, LLC.

  公开号：US20160280631A1

  公开（公告）日：2016-09-29

  Provided herein are certain esters, including those of the Formula I: wherein z is an integer selected from 0 to 15; R 1 , independently for each occurrence, is an optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched; and R 2 is selected from hydrogen and optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched. Hydroxy compounds are also described herein, which may be suitable end products, or serve as intermediates, to provide the desired ester products. Also described are compositions containing certain esters (e.g., triesters) and methods of making such esters and compositions thereof.