辛烷-2-基十二烷酸酯 | 55194-07-5

• 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: 辛烷-2-基十二烷酸酯
• 英文名称: octan-2-yl dodecanoate
• 英文别名: Laurinsaeure-2-octylester；2-Octyl-n-dodecanoat；lauric acid-(1-methyl-heptyl ester)；Laurinsaeure-(1-methyl-heptylester)
• CAS: 55194-07-5
• 化学式: C₂₀H₄₀O₂
• 分子量: 312.536
• InChiKey: MIEBBHYETAOCSS-UHFFFAOYSA-N

物化性质

• 沸点：
  354.6±10.0 °C(Predicted)
• 密度：
  0.862±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Sodium laurate 在 草酰氯 作用下， 生成 辛烷-2-基十二烷酸酯
  参考文献：
  名称：

  Effect of surfactant micelles on the stereochemistry and rate of "amsylate" solvolytic displacement reactions in water

  摘要：

  DOI：

  10.1021/ja00437a033

文献信息

• Development and Applications of Transesterification Reactions Catalyzed by N-Heterocyclic Olefins
  作者：Marcus Blümel、Janina-Miriam Noy、Dieter Enders、Martina H. Stenzel、Thanh V. Nguyen

  DOI：10.1021/acs.orglett.6b00835

  日期：2016.5.6

  A novel method to utilize N-heterocyclic olefins (NHOs), the alkylidene derivatives of N-heterocycic carbenes, as organocatalysts to promote transesterification reactions has been developed. Because of their strong Brønsted/Lewis basicity, NHOs can enhance the nucleophilicity of alcohols for their acylation reactions with carboxylic esters. This transformation can be employed in industrially relevant

  已经开发出一种利用N-杂环卡宾的亚烷基衍生物N-杂环烯烃（NHO）作为有机催化剂来促进酯交换反应的新方法。由于其强大的Brønsted/ Lewis碱性，NHO可以增强醇与羧酸酯的酰化反应的亲核性。这种转化可用于与工业相关的过程中，例如生产生物柴油，从塑料瓶中解聚聚对苯二甲酸乙二醇酯（PET）以便回收利用，以及环酯的开环聚合以形成可生物降解的聚合物，例如聚丙交酯（PLA）和聚己内酯（PCL）。
• A novel aromatic carbocation-based coupling reagent for esterification and amidation reactions
  作者：Thanh V. Nguyen、Demelza J. M. Lyons

  DOI：10.1039/c4cc09539a

  日期：——

  Driven by aromatization: a novel tropylium-based coupling reagent has been developed to facilitate nucleophilic coupling reactions of carboxylic acids.

  由芳构化驱动：一种新型基于环庚基的偶联试剂已经开发出来，以促进羧酸的亲核偶联反应。
• Tropolonate Salts as Acyl-Transfer Catalysts under Thermal and Photochemical Conditions: Reaction Scope and Mechanistic Insights
  作者：Demelza J. M. Lyons、Claire Empel、Domenic P. Pace、An H. Dinh、Binh Khanh Mai、Rene M. Koenigs、Thanh Vinh Nguyen

  DOI：10.1021/acscatal.0c03702

  日期：2020.11.6

  strong nucleophilicity and photochemical activity, can promote the coupling reaction between alcohols and carboxylic acid anhydrides or chlorides to give products under thermal or blue light photochemical conditions. Kinetic studies and density functional theory calculations suggest interesting mechanistic insights for reactions promoted by this acyl-transfer catalytic system.

  酰基转移催化是促进羧酸衍生物形成的常用工具，羧酸衍生物是有机合成中重要的合成前体和目标化合物。但是，已知只有少数结构性基序可以有效催化酰基转移反应。在本文中，我们介绍了基于托酚酮骨架的不同的酰基转移催化范式。我们显示，对羟基苯甲酸酯盐由于其强大的亲核性和光化学活性，可以促进醇与羧酸酐或氯化物之间的偶联反应，从而在热或蓝光光化学条件下产生产物。动力学研究和密度泛函理论计算表明，该酰基转移催化体系促进了反应的有趣机理。
• CAROTENOID-CONTAINING COMPOSITION AND METHOD FOR PRODUCING SAME
  申请人：Fujifilm Corporation

  公开号：EP2767274A1

  公开（公告）日：2014-08-20

  A carotenoid-containing composition including: a carotenoid component containing a crystalline carotenoid that is in an amorphous state; a (poly)glycerol fatty acid ester that contains from one to six glycerol units and from one to six fatty acid units and has at least one hydroxyl group resulting from a glycerol unit; a fatty acid ester component which is at least one selected from the group consisting of triesters of glycerol and fatty acids, and esters of alcohols having one hydroxyl group and fatty acids, contains no hydroxyl group in a molecule, and has from 10 to 60 carbon atoms in total; and an antioxidant.

  一种含类胡萝卜素的组合物，包括一种类胡萝卜素成分，含有无定形状态的结晶类胡萝卜素； 一种（多）甘油脂肪酸酯，含有 1 至 6 个甘油单元和 1 至 6 个脂肪酸单 元，并且至少有一个由甘油单元产生的羟基；一种脂肪酸酯成分，该成分至少选自甘油和脂肪酸的三酯以及具有一个羟基的醇和脂肪酸的酯组成的组，分子中不含羟基，总共具有 10 至 60 个碳原子；以及一种抗氧化剂。
• OIL-IN-WATER EMULSION COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：EP2829263A1

  公开（公告）日：2015-01-28

  An oil-in-water emulsion composition, including dispersed particles containing from 0.05% by mass to 2.5% by mass of lycopene; and at least one kind of compound selected from the group consisting of phenoxyethanol, an aliphatic diol compound having a carbon chain length of from 3 to 10 carbon atoms, an ether compound of glycerin and aliphatic alcohol, and a carbamic acid ester compound.

  一种水包油型乳液组合物，包括含有 0.05%（质量分数）至 2.5%（质量分数）番茄红素的分散颗粒；以及至少一种选自苯氧基乙醇、碳链长度为 3 至 10 个碳原子的脂肪族二元醇化合物、甘油和脂肪醇的醚化合物以及氨基甲酸酯化合物的化合物。