1-octyl 2-chloropropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-octyl 2-chloropropanoate
• 英文别名: 2-chloropropionate octyl ester；Octyl 2-chloropropanoate
• 化学式: C₁₁H₂₁ClO₂
• 分子量: 220.74
• InChiKey: BGMYDZVCAOVIPM-UHFFFAOYSA-N

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：
  0.91
• 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：

  1-octyl 2-chloropropanoate 、 2,4,6-三(2,4-二羟基苯基)-1,3,5-三嗪 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以86.45%的产率得到tinuvin 477
  参考文献：
  名称：

  ADHESIVE COMPOSITION INCLUDING AT LEAST TWO TYPES OF DYES, ADHESIVE SHEET, AND DISPLAY DEVICE INCLUDING SAME

  摘要：

  本发明揭示了一种粘合片，能够有效地阻挡紫外光区域的光线，而不会降低对可见光区域的透射率和粘附性，该粘合剂组合物包括分散在粘合树脂中的粘合剂树脂和光吸收染料，并且能够有效地阻挡410纳米波长区域的光线，并适用于各种显示设备。

  公开号：

  US20200325363A1
• 作为产物：
  描述：

  辛醇 、 2-氯丙酰氯 在 N-甲基咪唑 、 四甲基乙二胺 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以89%的产率得到1-octyl 2-chloropropanoate
  参考文献：
  名称：

  分别在酰氯和醇，胺，硫醇之间进行轻度，强大和稳定的酯化，酰胺形成和硫酯化的方法

  摘要：

  我们开发了两种有效的实用方法，分别用于酰氯与醇，胺，硫醇之间的酯化，酰胺形成和硫酯化。本发明的温和而稳固的反应是通过两种单独的方法进行的，两者都是通过组合廉价且容易获得的胺，N-甲基咪唑和N，N，N '，N'-四甲基乙二胺（TMEDA）。方法A使用等摩尔量的K 2 CO 3催化N-甲基咪唑和TMEDA ，而方法B使用等摩尔量的N-甲基咪唑和TMEDA。其主要特征如下。（i）就反应性而言，方法B在酯化和硫代酯化方面优于方法A，而经济高效的方法A在酰胺形成方面优于方法B。（ii）酰氯与较少亲核和立体拥挤的胺（如2,6-二氯苯胺）之间的酰胺形成过程顺利进行。（iii）该方案适用于成功合成两种农用化学品，溴丁酸酯和杀虫剂。

  DOI：

  10.1016/j.tet.2007.08.117

文献信息

• Compounds useful in enzymatic resolution systems and their preparation
  申请人：Sepracor, Inc.

  公开号：US05196568A1

  公开（公告）日：1993-03-23

  This invention relates to novel compositions of matter which are esters with enhanced water solubility, for use in aqueous enzymatic resolution reactions of racemic mixtures of these esters for producing the separate chiral isomers of the racemic mixture. The invention also relates to novel methods for preparing these esters. The importance of the production of the separate chiral isomers of the racemic mixtures resides in the isolation of the isomers which frequently have different biological activities. Of particular significance regarding the water soluble esters of this invention is that they are derivatized with groups which enhance their aqueous solubility and their reactivity with enzymatic resolving methods which are mediated in an aqueous environment. In addition, the importance of these compounds resides in their being useful in novel methods for facilitating the enzymatic resolution reactions of racemic mixtures of esters, which are derivatized with groups which enhance the esters' aqueous solubility, in 1) a homogeneous aqueous reaction system where an extractive phase is not present, 2) a multiphase dispersion extractive reaction where an extractive phase is present, and 3) an extractive membrane reactor where the enzyme is placed alternatively either (a) in the aqueous phase, (b) in association with the membrane, or (c) in the aqueous phase and in association with the membrane, wherein the aqueous ester phase is contacted with one side of the membrane, and where an organic extractive phase is contacted with the other side of the membrane, wherein the extractive phase serves to remove the resolving reaction product.

  本发明涉及具有增强水溶性的新型物质组合物，用于在水性酶解分离反应中使用这些酯类，以生产立体异构体的混合物的光学异构体。该发明还涉及制备这些酯类的新方法。生产混合物的立体异构体的重要性在于分离通常具有不同生物活性的异构体。关于本发明的水溶性酯类的重要性在于它们被衍生出具有增强水溶性和在水性环境中介导的酶解方法中的反应性的基团。此外，这些化合物的重要性在于它们可用于促进酯类的酶解反应的新方法，这些酯类被衍生出具有增强水溶性的基团，分别为：1）均相水反应体系，不含萃取相；2）多相分散萃取反应，含有萃取相；以及3）萃取膜反应器，其中酶交替放置在（a）水相中，（b）与膜结合，或（c）在水相中和与膜结合，其中水酯相与膜的一侧接触，有机萃取相与膜的另一侧接触，其中萃取相用于去除分离反应产物。
• Method for resolution of steroisomers in multiphase and extractive
  申请人：Sepracor, Inc.

  公开号：US04800162A1

  公开（公告）日：1989-01-24

  This invention relates to the resolution of racemic mixtures of optically active compounds, including but not limited to the stereochemical purification of chiral organic esters, amides, carboxylic acids, alcohols, and amines. Novel methods utilizing multiphase and extractive enzyme membrane bioreactors are disclosed that selectively produce pure or substantially purified optically active compounds from achiral precursors or mixtures of isomers in which one or several of those isomers are biologically inactive or otherwise lack desirable characteristics. There are immiscible solvents on either side of the membrane.

  本发明涉及光学活性化合物的混合物的分离，包括但不限于手性有机酯，酰胺，羧酸，醇和胺的立体化学纯化。公开了利用多相和萃取酶膜生物反应器的新方法，从非手性前体或异构体混合物中选择性地产生纯或基本纯的光学活性化合物，其中这些异构体中的一个或几个是生物不活性或缺乏理想特性。膜的两侧有不可混溶的溶剂。
• Method for resolution of stereoisomers
  申请人：Sepracor, Inc.

  公开号：US05057427A1

  公开（公告）日：1991-10-15

  This invention relates to a novel method of effecting aqueous enzymatic and homogeneous resolutions of racemic esters which exhibit enhanced aqueous solubility. The preferred embodiment of this invention relates to the resolutions which are effected by placing the enzyme and racemic esters in an aqueous phase wherein one of the ester enantiomers is preferentially and stereospecifically de-esterified to effect the resolution of the initial racemic mixture. In another embodiment of this invention, the resolutions are effected by placing the enzyme and racemic esters in an aqueous phase, and contacting this aqueous phase with an organic phase. The preferential and stereospecific de-esterification of one of the ester enantiomers is effected, and the chiral acid product of the de-esterification reaction is extracted into the organic phase.

  本发明涉及一种新颖的方法，用于实现具有增强水溶性的混合酯的水性酶解和均相分离。本发明的首选实施方式涉及通过将酶和混合酯置于水相中，其中一个酯对映体被优先和立体特异性地去酯化，以实现最初的混合物的分离。在本发明的另一实施方式中，通过将酶和混合酯置于水相中，并将该水相与有机相接触，实现了对一个酯对映体的优先和立体特异性去酯化，去酯化反应的手性酸产物被提取到有机相中。
• Method for membrane reactor resolution of stereoisomers
  申请人：Sepracor, Inc.

  公开号：US05077217A1

  公开（公告）日：1991-12-31

  This invention relates to novel methods for facilitating the enzymatic resolution of racemic mixtures of esters, which are derivatized with groups which enhance the esters' aqueous solubility, in an extractive member reactor where the enzyme is placed alternatively either (1) in the aqueous phase, (2) in association with the membrane, or (3) in the aqueous phase and in association with the membrane, wherein the aqueous ester phase is contacted with one side of the membrane, and where an organic extractive phase is contacted with the other side of the membrane, wherein the extractive phase serves to remove the resolving reaction product. Of particular significance regarding this invention is its use of water soluble esters that are derivatized with groups which enhance their aqueous solubility and their reactivity with enzymatic resolving methods which are mediated in an aqueous environment. Novel methods were utilized to prepare these esters, for use in this invention's methods for enzymatically resolving the racemic mixtures of the esters, to produce the separate chiral isomers of the racemic mixture. The importance of the resolution of the separate chiral isomers of the racemic mixtures resides in the isolation of the isomers which frequently have different biological activities.

  该发明涉及一种新型方法，用于促进具有增强酯的水溶性的基团衍生物的混合物的酶解析，其中该酶解析在萃取成员反应器中进行，酶交替地放置在（1）水相中，（2）与膜结合，或（3）同时在水相中和与膜结合的位置。其中水酯相与膜的一侧接触，有机萃取相与膜的另一侧接触，萃取相用于去除酶解反应产物。该发明的一个重要方面是使用水溶性酯，其衍生物带有增强其水溶性和在水环境中介导的酶解析方法的基团。新型方法用于制备这些酯，以用于该发明的酶解析方法，以产生混合物的分离手性异构体。分离混合物的手性异构体的重要性在于分离异构体通常具有不同的生物活性。
• Improved process for conducting lipase enzyme hydrolysis
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0257716A2

  公开（公告）日：1988-03-02

  Lipase hydrolysis of an ester group of a substrate can be conducted in the absence of large quantities of water and excess enzyme without extensive inhibition of enzyme activity due to water-soluble product alcohol. A lipase reaction can be efficiently conducted by dispersing a water-­immiscible organic substrate phase in an aqueous phase, washing the reaction continuously while the reaction mixture is maintained in the dispersed state, and continuously removing an amount of aqueous phase substantially equivalent to the washing solution added. The washing solution can be an aqueous neutralizing solution. By this process, water-­soluble product alcohol can be removed from the reaction mixture without removal of substantial quantities of water-­soluble enzyme.

  脂肪酶水解底物的酯基可以在没有大量水和过量酶的情况下进行，而不会因水溶性产物醇而导致酶活性受到广泛抑制。将不溶于水的有机底物相分散在水相中，在反应混合物保持分散状态时不断洗涤反应物，并不断除去与所加入的洗涤液量基本相等的水相，可以有效地进行脂肪酶反应。洗涤液可以是中和水溶液。通过这种工艺，可以从反应混合物中除去水溶性产品醇，而不需要除去大量的水溶性酶。