dodecan-2-yl acetate | 42270-47-3

• 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: dodecan-2-yl acetate
• 英文别名: 2-acetoxydodecane；2-dodecyl acetate；11-dodeceyl acetate；2-Dodecylacetat
• CAS: 42270-47-3
• 化学式: C₁₄H₂₈O₂
• 分子量: 228.375
• InChiKey: XLJMENIXMPTZGN-UHFFFAOYSA-N

物化性质

• 熔点：
  1.1 °C
• 沸点：
  144-145 °C(Press: 13 Torr)
• 密度：
  0.866±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  乙酸乙烯酯 、 1-十二烯十二碳烯α-十二碳烯α-十二碳烯 在 ruthenium hydroxide trichloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以22%的产率得到dodecan-2-yl acetate
  参考文献：
  名称：

  Hydroacetoxylation of olefins with acetic acid genetated in situ from vinyl acetate in the presence of ruthenium complexes

  摘要：

  Ruthenium complexes catalyze the decomposition of vinyl acetate releasing the acetic acid and its subsequent addition to linear and cyclic olefins.

  DOI：

  10.1134/s1070428011020011

文献信息

• Chemoselectivity in Esterification Reactions – Size Matters after All
  作者：Julian Helberg、Marta Marin-Luna、Hendrik Zipse

  DOI：10.1055/s-0036-1588854

  日期：2017.8

  his 70th birthday Abstract The reaction of carboxylic acid chlorides with secondary alcohols carrying either flexible alkyl or rigid aryl substituents was studied through a series of competition experiments. Aliphatic acid chlorides react preferentially with the aryl-substituted alcohols, while acid chlorides derived from aromatic carboxylic acids react with very low selectivity. Catalysis by 9-azajulolidine

  专用于赫伯特·迈尔在他70之际个生日 抽象的 通过一系列竞争实验研究了羧酸氯化物与带有柔性烷基或刚性芳基取代基的仲醇的反应。脂族酰氯优先与芳基取代的醇反应，而衍生自芳族羧酸的酰氯以非常低的选择性反应。9-azazulolidine（TCAP）催化可大大提高选择性，而溶剂和温度的影响仅中等。醇取代基的大小似乎仅影响刚性芳基取代基的选择性，并且已经发现1-（1-苯甲基）乙醇具有最高的选择性。 通过一系列竞争实验研究了羧酸氯化物与带有柔性烷基或刚性芳基取代基的仲醇的反应。脂族酰氯优先与芳基取代的醇反应，而衍生自芳族羧酸的酰氯以非常低的选择性反应。9-azazulolidine（TCAP）催化可大大提高选择性，而溶剂和温度的影响仅中等。醇取代基的大小似乎仅影响刚性芳基取代基的选择性，并且已经发现1-（1-苯甲基）乙醇具有最高的选择性。
• Novel Sol-Gel Lipases by Designed Bioimprinting for Continuous-Flow Kinetic Resolutions
  作者：Gabriella Hellner、Zoltán Boros、Anna Tomin、László Poppe

  DOI：10.1002/adsc.201100329

  日期：2011.9

  The bioimprinting effect in sol‐gel immobilization of lipases was studied to develop efficient novel immobilized biocatalysts with significantly improved properties for biotransformations in continuous‐flow systems. The bioimprinting candidates were selected systematically among the substrate mimics already found in the active site of experimental lipase structures. Four lipases (Lipase AK, Lipase PS

  研究了在脂肪酶的溶胶凝胶固定化过程中的生物印迹作用，以开发有效的新型固定化生物催化剂，并显着改善了连续流系统中生物转化的性能。从已经在实验脂肪酶结构的活性位点中发现的底物模拟物中系统地选择生物印迹候选物。使用四乙氧基硅烷（TEOS），苯基三乙氧基硅烷（PhTEOS），辛基三乙氧基硅烷（OcTEOS）和二甲基二乙基硅烷（DMDEOS）的各种组合，通过溶胶凝胶工艺将九种生物印迹候选物固定化为四种脂肪酶（脂肪酶AK，脂肪酶PS，CaLB和CrL）。前体。rac - 1a-e和混合物B：庚烷-2-醇rac - 1f和1-苯乙醇rac - 1g）。除脂肪酶AK以外，最显着的活性增强是通过已经在各种脂肪酶的X射线结构中作为底物模拟物的印迹分子发现的。最好的生物催化剂的合成有用性通过拆分外消旋1-动力学拆分（噻吩-2-基）乙醇（表明外消旋- 1H分批和连续流动系统）。
• [EN] PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ALCOXYLATES D'ALCOOLS SECONDAIRES ACYLÉS ET ALCOXYLATES D'ALCOOLS SECONDAIRES
  申请人：SHELL INT RESEARCH

  公开号：WO2010049465A1

  公开（公告）日：2010-05-06

  A process for the preparation of acylated secondary alcohol alkoxylates, said process comprising : (i) reaction of one or more internal olefins with one or more carboxylic acids in the presence of a catalyst composition in order to form one or more carboxylic acid esters; (ii) reaction of one or more carboxylic acid esters from step (i) with one or more alkylene oxide reactants, in the presence of a catalytically effective amount of a catalyst composition comprising: (a) one or more alkaline earth metal salts of carboxylic and/or hydroxycarboxylic acids and/or hydrates of the former; (b) an oxy-acid selected from sulphuric acid and ortho-phosphoric acid; (c) an alcohol and/or an ester; and/or products of the reciprocal reactions of (a), (b) and/or (c) in order to form one or more acylated secondary alcohol alkoxylates; and optionally (iii) hydrolysis or transesterification of one or more acylated secondary alcohol alkoxylates from step (ii) in order to form one or more secondary alcohol alkoxylates; and a process for making secondary alcohol alkoxy sulphates comprising the steps of: preparing secondary alcohol alkoxylates by the afore-mentioned process; and sulphating the secondary alcohol alkoxylates.

  一种制备酰化二次醇烷氧基化物的方法，该方法包括：（i）在催化剂组成物的存在下，将一种或多种内部烯烃与一种或多种羧酸反应，以形成一种或多种羧酸酯；（ii）在催化剂组成物的存在下，将步骤（i）中的一种或多种羧酸酯与一种或多种烷基氧化物反应，其中催化剂组成物包括：（a）一种或多种碱土金属羧酸和/或羟基羧酸盐和/或其水合物；（b）从硫酸和正磷酸中选择的氧酸；（c）一种醇和/或一种酯和/或（a），（b）和/或（c）的互反作用产物，以形成一种或多种酰化二次醇烷氧基化物；可选地（iii）水解或酯交换步骤，以形成一种或多种二次醇烷氧基化物。制备二次醇烷氧基硫酸盐的方法包括以下步骤：通过上述方法制备二次醇烷氧基化物；并对二次醇烷氧基化物进行硫酸化。
• Continuous process for co-producing linear, secondary, aliphatic alcohols and carboxylic acid esters
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0129912A1

  公开（公告）日：1985-01-02

  A continuous process for efficiently co-producing secondary alcohols of long-chain olefins and lower carboxylic acid esters, comprising (I) performing an acid/olefin reaction in the presence of a heterogeneous catalyst such as Amberlyst 15, and (II) performing an ester-exchange reaction in the presence of, e.g., titanium alcoholate. A desirable feature of the process is the ability to produce co-products of choice.

  一种高效联产长链烯烃和低级羧酸酯仲醇的连续工艺，包括（I）在异相催化剂（如 Amberlyst 15）存在下进行酸/烯烃反应，以及（II）在醇酸钛等存在下进行酯交换反应。 该工艺的一个理想特点是能够生产自选的副产品。
• PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES
  申请人：Shell Internationale Research Maatschappij B.V.

  公开号：EP2349974A1

  公开（公告）日：2011-08-03