丁烷-2-基辛酸酯 | 5458-61-7

• 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: 丁烷-2-基辛酸酯
• 英文名称: sec-butyl caprylate
• 英文别名: Caprylsaeure-2-butanester；octanoic acid sec-butyl ester；Octansaeure-sec-butylester；Sec-butyl octanoate；butan-2-yl octanoate
• CAS: 5458-61-7
• 化学式: C₁₂H₂₄O₂
• mdl: MFCD19707236
• 分子量: 200.321
• InChiKey: YLQZZVGQNWNEFP-UHFFFAOYSA-N

物化性质

• 沸点：
  231.9±8.0 °C(Predicted)
• 密度：
  0.869±0.06 g/cm3(Predicted)
• LogP：
  4.705 (est)
• 保留指数：
  1506;1510;1506;1510

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为产物：
  描述：

  2-butyl trityl ether 、 辛酰氯 以 二氯甲烷 为溶剂， 反应 18.0h， 以71%的产率得到丁烷-2-基辛酸酯
  参考文献：
  名称：

  一种方便的一步法对三苯基甲基醚进行脱保护和酯化

  摘要：

  我们发现了一种简单的一锅法，使用相应的酰氯作为唯一试剂，将三苯甲基醚转化为酯。

  DOI：

  10.1016/s0040-4039(00)00963-1

文献信息

• Solvent-free esterification catalyzed by surfactant-combined catalysts at room temperature
  作者：Li Gang、Li Xinzong、Wumanjiang Eli

  DOI：10.1039/b615448d

  日期：——

  Solvent-free esterifications of various carboxylic acids and alcohols can be catalyzed by surfactant-combined catalysts dodecylbenzene sulfonic acid (DBSA) and copper dodecylbenzene sulfonate (CDBS) in moderate to excellent yield at room temperature. The esterification method has two notable advantages: first, there is no need for any solvent, even water, and secondly, no need for energy, the reaction can proceed smoothly at room temperature.

  无溶剂酯化反应可在室温下由表面活性剂复合催化剂十二烷基苯磺酸（DBSA）和十二烷基苯磺酸铜（CDBS）催化，产率从中等到优良不等。该酯化方法具有两大显著优势：一是无需任何溶剂，甚至不需水；二是无需能量，反应可在室温下顺利进行。
• Application of Sulfonic Acid Functionalised Hybrid Silicas Obtained by Oxidative Cleavage of Tetrasulfide Bridges as Catalysts in Esterification Reactions
  作者：María Isabel López、Dolores Esquivel、César Jiménez-Sanchidrián、Francisco José Romero-Salguero

  DOI：10.1002/cctc.201200509

  日期：2013.4

  sulfonic acid functionalised materials were used as catalysts in the esterification of acetic acid with ethanol, and they exhibited a comparable or very similar activity to that of Amberlyst‐15. Several mesoporous and microporous hybrid materials were selected and compared to this commercial resin in the transformation of more hydrophobic substrates. Some of these hybrid materials were especially attractive

  在酸性条件下，在存在Brij-76作为结构的条件下，在酸性条件下，双[3-（三乙氧基甲硅烷基）丙基]四硫化物与原硅酸四乙酯或1,4-双（三乙氧基甲硅烷基）苯之间的共缩合反应可合成具有四硫键的杂化材料。指导剂。通过H 2 O 2处理对它们进行了后修饰持续3小时或24小时。随着合成混合物中S含量的增加，观察到所得材料中介观结构的逐渐损失。因此，只有那些具有最低四硫化物含量的样品才能被认为是周期性的介孔有机硅。这种作用在氧化时甚至更加明显。氧化后的材料表现出相当大的酸度，尤其是两种前体的酸度大致相等。所有磺酸官能化的材料均用作乙酸与乙醇的酯化反应的催化剂，它们表现出与Amberlyst-15相当或非常相似的活性。选择了几种中孔和微孔杂化材料，并将其与这种商业树脂进行了比较疏水的底物转化。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• Anti-fouling Paints and Coatings
  申请人：Reactive Surfaces LTD

  公开号：US20150191607A1

  公开（公告）日：2015-07-09

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peptide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文披露了聚合材料，例如涂层、塑料、层压材料、复合材料、弹性体、粘合剂或密封剂；表面处理，例如纺织品整理或蜡；填充剂，用于这种聚合材料或表面处理，包括酯酶（例如脂肪水解酶、硫酸酯水解酶、有机磷化合物降解酶）的酶，降解细胞壁和/或细胞膜成分的酶（例如溶菌酶、裂解转葡糖苷酶），生物杀菌或生物稳定肽，和/或肽酶。本文还披露了通过将酶并入能够通过脂肪水解酶、水解酶和/或脲酶的活性进行化学交联的材料中，改变材料性能（例如使用寿命、柔韧性或刚度）的方法。
• Coating varnish composition and antifouling coating composition
  申请人：Hitachi Chemical Co., Ltd.

  公开号：EP0711813A2

  公开（公告）日：1996-05-15

  A coating varnish composition comprising a biodegradable polymer (A) comprising one or more kinds of constituent units (b) represented by the general formula (I), (II) or (III) and one or more other kinds of constituent units (a) capable of imparting bio-degradability: wherein in the formula (I), R¹ and R are independently a hydrogen atom, a chlorine atom, a bromine atom, a methyl group, an ethyl group or a phenyl group; in the formula (II), R³ and R⁴ are independently a hydrogen atom, a chlorine atom, a bromine atom, or a substituted or unsubstituted methyl or ethyl group; in the formula (III), R⁵ and R⁶ are independently a hydrogen atom, a methyl group or an ethyl group, and R⁷ is a straight, branched or cyclic alkyl group, an aryl group, a heterocyclic group or an aralkyl group, which may have one or more substituents.

  一种涂料清漆组合物，包含一种可生物降解聚合物 (A)，该聚合物包含一种或多种由通式 (I)、(II) 或 (III) 表示的组成单元 (b) 和一种或多种可赋予生物降解性的其他组成单元 (a)： 其中，在式 (I) 中，R¹ 和 R 独立地为氢原子、氯原子、溴原子、甲基、乙基或苯基；在式 (II) 中，R³ 和 R⁴ 独立地为氢原子、氯原子、溴原子或取代或未取代的甲基或乙基；在式 (III) 中，R⁵ 和 R⁶ 独立地是氢原子、甲基或乙基，R⁷ 是直链、支链或环状烷基、芳基、杂环基或芳烷基，它们可以有一个或多个取代基。