2-羟基乙基异丁酸酯 | 6942-58-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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
• 中文名称: 2-羟基乙基异丁酸酯
• 英文名称: 2-hydroxyethyl isobutyrate
• 英文别名: 2-hydroxyethyl 2-methylpropanoate；ethylene glycol monoisobutyrate；methanol,methyl isobutyrate
• CAS: 6942-58-1
• 化学式: C₆H₁₂O₃
• mdl: MFCD22199831
• 分子量: 132.159
• InChiKey: BEKXVQRVZUYDLK-UHFFFAOYSA-N

物化性质

• 沸点：
  187 °C
• 密度：
  1.0345 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2-羟基乙基异丁酸酯 在 sodium hypochlorite 、 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl 、 硫酸 、 碳酸氢钠 、 sodium bromide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.05h， 以74%的产率得到2-oxoethyl isobutyrate
  参考文献：
  名称：

  Technical Production of Aldehydes by Continuous Bleach Oxidation of Alcohols Catalyzed by 4-Hydroxy-TEMPO

  摘要：

  Aldehydes can be easily prepared from the corresponding alcohols in good to excellent yields by oxidation with technical bleach and catalytic amounts of 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl (1b, 4-hydroxy TEMPO, "HOT"). Whereas the well-known batch process performed on lab scale is not suitable for the technical synthesis especially of activated P-substituted aldehydes, this transformation can be performed continuously in a simple tube reactor. This layout meets all requirements necessary for the process, i.e., turbulent mixing of the biphasic mixture, removal of heat, short contact times, and high output. Thus, a single tube of 3 mm diameter renders about 60 mol of aldehyde per day.

  DOI：

  10.1021/op050040t
• 作为产物：
  描述：

  2-丙-2-基-1,3-二氧戊环 在 氧气 、 臭氧 作用下， 反应 0.75h， 生成 2-羟基乙基异丁酸酯
  参考文献：
  名称：

  Kuramshin, E. M.; Kulak, L. G.; Nazarov, M. N., Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 4, p. 591 - 599

  摘要：

  DOI：

文献信息

• One-Pot <i>o</i>-Nitrobenzenesulfonylhydrazide (NBSH) Formation−Diimide Alkene Reduction Protocol
  作者：Barrie J. Marsh、David R. Carbery

  DOI：10.1021/jo900237y

  日期：2009.4.17

  formation of 2-nitrobenzenesulfonylhydrazide (NBSH) from commercial reagents and subsequent alkene reduction is presented. The transformation is operationally simple and generally efficient for effecting diimide alkene reductions. A range of 16 substrates have been reduced, highlighting the unique chemoselectivity of diimide as a reduction system.

  提出了一种从商业试剂中形成2-硝基苯磺酰肼（NBSH）并随后进行烯烃还原的一锅法方案。该转化在操作上简单并且通常有效地实现了二酰亚胺烯烃的还原。减少了16种底物的范围，突出了二酰亚胺作为还原系统的独特化学选择性。
• Organocatalytic Chemoselective Monoacylation of 1,n-Linear Diols
  作者：Keisuke Yoshida、Takumi Furuta、Takeo Kawabata

  DOI：10.1002/anie.201100700

  日期：2011.5.16

  Matters of length: Exclusive or predominant monoacylation of 1,n‐linear diols took place in the presence of 1 when the chain length of linear diols was equal to or shorter than five carbon atoms. The chemoselectivity of acylation between 1,5‐pentanediol (n=5) and 1,6‐hexanediol (n=6) was 5.2, and that between 1,5‐pentanediol and its monoacylate was 113.

  长度的事项：独占或1主要单酰化，Ñ -线性二醇发生在存在1时线性二醇的链长度等于或短于5个碳原子。1,5-戊二醇（n = 5）和1,6-己二醇（n = 6）之间的酰化化学选择性为5.2，1,5-戊二醇及其单酰化物之间的酰化化学选择性为113。
• Flavin-Functionalized Gold Nanoparticles as an Efficient Catalyst for Aerobic Organic Transformations
  作者：Yasushi Imada、Motonari Osaki、Mikiko Noguchi、Takatoshi Maeda、Misa Fujiki、Soichiro Kawamorita、Naruyoshi Komiya、Takeshi Naota

  DOI：10.1002/cctc.201402619

  日期：2015.1

  non‐supported catalysts over the full substrate concentration range for the hydrogenation of olefins and at lower substrate concentrations for sulfoxidation. This positive effect was rationalized by assuming a Michaelis–Menten‐type mechanism in which the specific inclusion of substrates into the enzyme‐like reaction cavities was a key factor in the high efficiency of the supported flavin catalysts.

  合成了用合成黄素官能化的单层保护金簇，并研究了它们在需氧有机转化中的催化活性。在室温下和大气压下用肼处理后，具有5-乙基-3-（8-硫辛基）铝磷黄铵高氯酸根的金纳米颗粒可作为有机硫化物有氧氧化为相应亚砜的有效催化剂。与3-（8-硫辛基）荧光黄素催化量的金纳米颗粒相比，肼在室温下，大气压下可以在空气中于室温下进行各种烯烃的二酰亚胺还原，生成的产物烷烃的收率要高于无载体的3-甲基荧光黄素催化剂。在相同条件下。动力学研究表明，在烯烃的整个底物浓度范围内，单层保护的金团簇催化反应的进行比在非载体催化剂下的反应进行得更快，而烯烃的加氢反应则在较低的底物浓度下进行。通过假设采用Michaelis–Menten型机理可以合理化这种积极效果，在这种机理中，将特定底物包括在酶样反应腔中是影响负载型黄素催化剂高效的关键因素。
• Gold Catalysis: In Situ EXAFS Study of Homogeneous Oxidative Esterification
  作者：A. Stephen K. Hashmi、Christian Lothschütz、Martin Ackermann、René Doepp、Sankaran Anantharaman、Benjamin Marchetti、Helmut Bertagnolli、Frank Rominger

  DOI：10.1002/chem.200903450

  日期：2010.7.19

  Gold complexes were prepared and investigated as catalysts for the oxidative esterification of aldehydes. Stabilisation by pyridine ligands gave good conversions and the in situ extended X‐ray absorption fine structure (EXAFS) study of the reactions indicated that the reaction mixtures contained only mononuclear gold species. Thus, this is the first proof for a homogeneous gold‐catalysed oxidation

  制备金配合物并研究其作为醛氧化酯化的催化剂。吡啶配体的稳定作用可实现良好的转化，反应的原位扩展X射线吸收精细结构（EXAFS）研究表明，反应混合物仅包含单核金。因此，这是均匀金催化氧化反应的第一个证据。可以通过实验排除纳米颗粒的存在。
• Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives
  申请人：Bhat Laxminarayan

  公开号：US20120172426A1

  公开（公告）日：2012-07-05

  The present invention provides novel cycloalkylmethylamine derivatives, and methods of preparing cycloalkylmethylamine derivatives. The present invention also provides methods of using cycloalkylmethylamine derivatives and compositions of cycloalkylmethylamine derivatives. The pharmaceutical compositions of the compounds of the present invention can be advantageously used for treating and/or preventing obesity and obesity related co-morbid indications and depression and depression related co-morbid indications.

  本发明提供了新颖的环烷基甲胺衍生物，以及制备环烷基甲胺衍生物的方法。本发明还提供了使用环烷基甲胺衍生物和环烷基甲胺衍生物组合物的方法。本发明化合物的药物组合物可优势用于治疗和/或预防肥胖及与肥胖相关的共病症和抑郁症及与抑郁症相关的共病症。