3-羟基丁酸丙酯 | 116310-04-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 3-羟基丁酸丙酯
• 英文名称: propyl (3R,3S)-3-hydroxybutanoate
• 英文别名: 3-Hydroxybutansaeure propylester；propyl (RS)-3-hydroxybutanoate；n-propyl 3-hydroxybutyrate；Propyl butanoate, 3-hydroxy；propyl 3-hydroxybutanoate
• CAS: 116310-04-4
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: DYIMQAHDHMHISM-UHFFFAOYSA-N

物化性质

• 沸点：
  223.0±13.0 °C(Predicted)
• 密度：
  1.005±0.06 g/cm3(Predicted)
• 保留指数：
  979;980

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  β-丁内酯 、 丙醇 在 Novozyme 435 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以54%的产率得到3-羟基丁酸丙酯
  参考文献：
  名称：

  Poly(3-hydroxyoctanoate) depolymerase from Pseudomonas fluorescens GK13: Catalysis of ester-forming reactions in non-aqueous media

  摘要：

  Several industrial processes based on lipase catalysis have been established. However, since there are still a vast number of catalytic processes that lack a suitable enzyme, the discovery of new biocatalysts is required to fulfil this purpose. The potential of using the medium-chain-length (mcl)-PHA depolymerase from Pseudomonas fluorescens GK13 in anhydrous media to catalyze ester-forming reactions has been investigated and compared with that of Novozyme 435. The mcl-PHA depolymerase catalyzes the ring-opening polymerization of racemic beta-butyrolactone (beta-BL). L- and D-lactide (LLA, DLA) with high yield resulting in low molecular weight polymers. On the other hand, epsilon-caprolactone and pentade-calactone, which show high polymerizability using Novozyme 435 as catalyst, were not polymerized by mcl-PHA depolymerase. Besides, the activity of mcl-PHA depolymerase toward transesterification and esterification of ethyl-3-hydroxyoctanoate, lauric acid, (R,S)-beta-BL, LLA and DLA has been studied. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2012.01.011

文献信息

• ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE
  申请人：Yu J. Ruey

  公开号：US20060251597A1

  公开（公告）日：2006-11-09

  This application discloses a composition comprising a malodor compound and an anti-odor ingredient effective for reducing the presence or production of malodor. The composition may be topically applied to a subject and is useful for cosmetic conditions, pharmaceutical indications, or other objectives.

  本申请公开了一种包含恶臭化合物和抑臭成分的组合物，用于减少恶臭的存在或产生。该组合物可以局部应用于一个对象，并且适用于化妆条件、药用指示或其他目的。
• EUKARYOTIC ORGANISMS AND METHODS FOR INCREASING THE AVAILABILITY OF CYTOSOLIC ACETYL-COA, AND FOR PRODUCING 1,3-BUTANEDIOL
  申请人：Burgard Anthony P.

  公开号：US20130066035A1

  公开（公告）日：2013-03-14

  Provided herein are non-naturally occurring eukaryotic organisms that can be engineered to produce and increase the availability of cytosolic acetyl-CoA. Also provided herein are non-naturally occurring eukaryotic organisms having a 1,3-butanediol (1,3-BDO) pathway. and methods of using such organisms to produce 1,3-BDO.

  本文提供的是非自然存在的真核生物，可以经过基因工程来产生并增加细胞质中乙酰辅酶A的可用性。同时，还提供了一种具有1,3-丁二醇(1,3-BDO)途径的非自然存在的真核生物，并提供了使用这些生物来生产1,3-BDO的方法。
• Method for preparing optically active beta-butyrolactones
  申请人：Watanabe Shinya

  公开号：US20060046286A1

  公开（公告）日：2006-03-02

  The present invention is to provide a method for preparing easily and efficiently β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives in high optical purity by use of an easily available hydrolase, which are useful as intermediates for pharmaceuticals, agrochemicals and the like. More particularly, the present invention relates to a method for preparing β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives with an optical purity of substantially 100% ee, comprising reacting a β-butyrolactone which is a mixture of optical isomers, with a nucleophilic agent in the presence of a hydrolase, provided that a lipase derived from porcine pancreas is excluded.

  本发明提供了一种使用易得的水解酶高效制备β-丁内酯和/或高光学纯度的光学活性3-羟基羧酸衍生物的方法，这些衍生物作为制药、农药等中间体具有应用价值。更具体地说，本发明涉及一种制备β-丁内酯和/或光学活性3-羟基羧酸衍生物的方法，其光学纯度达到实质上100% ee，包括在水解酶的存在下，用亲核试剂反应混合光学异构体的β-丁内酯，但不包括来自猪胰脂肪酶的酶。
• Silicon-containing antireflective coating forming composition, silicon-containing antireflective coating, substrate processing intermediate, and substrate processing method
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP1788012A1

  公开（公告）日：2007-05-23

  A composition for forming an antireflective coating for use in a photolithography process using exposure light of up to 200 nm comprises a silicon-containing polymer obtained through hydrolytic condensation of a silicon-silicon bond-containing silane compound having formula: R(6-m)Si2Xm wherein R is a monovalent hydrocarbon group, X is alkoxy, alkanoyloxy or halogen, and m is 3 to 6. The composition allows the overlying photoresist film to be patterned to a satisfactory profile and has a high etching selectivity relative to organic material so that a substrate can be processed at a high accuracy.

  一种用于形成抗反射涂层的组合物，可在使用 200 纳米以下曝光光的光刻工艺中使用，该组合物包括一种通过水解缩合含硅-硅键的硅烷化合物而获得的含硅聚合物，该硅烷化合物的化学式如下： R(6-m)Si2Xm 其中 R 是一价烃基，X 是烷氧基、烷酰氧基或卤素，m 是 3 至 6：R(6-m)Si2Xm 其中 R 为一价烃基，X 为烷氧基、烷酰氧基或卤素，m 为 3 至 6。该组合物可将上覆的光刻胶膜图案化为令人满意的轮廓，并且相对于有机材料具有较高的蚀刻选择性，从而可对基底进行高精度加工。
• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。