丙酮酸异丁酯 | 13051-48-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 丙酮酸异丁酯
• 英文名称: iso-butyl pyruvate
• 英文别名: iso-Butylpyruvat；pyruvic acid isobutyl ester；Brenztraubensaeure-isobutylester；pyruvate iso-butyl ester；Isobutyl pyruvate；2-methylpropyl 2-oxopropanoate
• CAS: 13051-48-4
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: WFERWTFFEKELDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  80 °C(Press: 20 Torr)
• 密度：
  0.9891 g/cm3
• LogP：
  1.214 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  丙酮酸异丁酯 、 4-叠氮基苯胺 生成 N-(4-azidophenyl)alanine iso-butyl ester
  参考文献：
  名称：

  N-(aryl/heteroaryl) amino acid esters, pharmaceutical compositions

  摘要：

  揭示了一种抑制β-淀粉样肽释放和/或合成的化合物，因此，对治疗阿尔茨海默病具有实用价值。还揭示了包括抑制β-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防性和治疗性治疗阿尔茨海默病的方法。

  公开号：

  US05965614A1
• 作为产物：
  描述：

  乳酸异丁酯 在 盐酸 、 sodium hypobromide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 丙酮酸异丁酯 、 (2-bromo-2-methylpropyl) 2-oxopropanoate
  参考文献：
  名称：

  FACILE SYNTHESIS OF α-KETOCARBONYL COMPOUNDS FROM α-HYDROXYCARBONYL COMPOUNDS

  摘要：

  Various alpha-ketocarbonyl compounds were obtained in excellent yields under mild condition from the reaction of the corresponding alpha-hydroxycarbonyl compounds with sodium hypobromite in the presence of HCl catalyst.

  DOI：

  10.1081/scc-120001505

文献信息

• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020045747A1

  公开（公告）日：2002-04-18

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• [EN] SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS<br/>[FR] SYNTHÈSE DE GLYCOLS AU MOYEN D'UNE HYDROGÉNATION PAR TRANSFERT D'ESTERS ALPHA-FONCTIONNELS AVEC DES ALCOOLS
  申请人：EASTMAN CHEM CO

  公开号：WO2019027948A1

  公开（公告）日：2019-02-07

  A transfer hydrogenation process for forming vicinal diols by hydrogenating 1,2-dioxygenated organic compounds using alcohols as the reducing agent instead of the traditional H2 gas. The transfer hydrogenation is carried out under milder conditions of temperature and pressure than is typical for ester hydrogenation with H2. The milder conditions of operation provide benefits, such as lower operating and capital costs for industrial scale production as well as savings in product purification due to the avoidance of by-products from exposure of reaction mixtures and products to high temperatures.

  一种通过使用醇作为还原剂而不是传统的氢气，在较温和的温度和压力条件下，通过氢化1,2-二氧化有机化合物形成邻二醇的转移加氢过程。操作的较温和条件提供了诸如工业规模生产的较低运营和资本成本以及由于避免将反应混合物和产物暴露在高温下而节省产品纯化成本的好处。
• N-(aryl/heteroaryl) amino acid esters, pharmaceutical compositions
  申请人：Athena Neurosciences, Inc.

  公开号：US05965614A1

  公开（公告）日：1999-10-12

  Disclosed are compounds which inhibit .beta.-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits .beta.-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  揭示了一种抑制β-淀粉样肽释放和/或合成的化合物，因此，对治疗阿尔茨海默病具有实用价值。还揭示了包括抑制β-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• Enantioselective hydrogenation of pyruvates over polymer-stabilized and supported platinum nanoclusters
  作者：Xiaobin Zuo、Hanfan Liu、Dawei Guo、Xiaozhen Yang

  DOI：10.1016/s0040-4020(99)00415-9

  日期：1999.6

  cinchonidine-modified enantioselective hydrogenation of pyruvates has been studied over polyvinylpyrrolidone-stabilized platinum (PVP-Pt) and the corresponding alumina-supported platinum (Al2O3-Pt) clusters. It is shown that the catalysts with particle size less than 2.0 nm demonstrate > 90% enantioselectivity in favor of (R)-lactates. The solvent effect is similar to that over the conventional supported platinum catalyst

  已经在聚乙烯吡咯烷酮稳定的铂（PVP-Pt）和相应的氧化铝负载的铂（Al 2 O 3 -Pt）簇上研究了丙酮酸的辛可尼定修饰的对映选择性氢化。结果表明，粒径小于2.0 nm的催化剂表现出> 90％的对映选择性，有利于（R）-乳酸。除四氢呋喃外，其溶剂作用与常规负载铂催化剂相似。这些胶体和负载簇稳定，即使在室温下在空气中放置18个月也没有明显的活性和对映选择性损失。铂表面改性剂-反应物相互作用的分子力学计算表明，可以在小簇上获得良好的对映选择性。
• Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents
  申请人：Huse Klaus

  公开号：US20080300303A1

  公开（公告）日：2008-12-04

  The present invention pertains to substances of the formula (I) wherein X is O or S; and R1-R4 are defined in the claims as inhibitors of glyoxalase I and/or II, pharmaceutical compositions comprising one or more compounds according to formula (I) and the use of one or more compounds according to formula (I) for the treatment of diseases associated with increased glycolytic metabolism. In one embodiment, the disease is a fungal infection.

  本发明涉及式（I）的物质，其中X是O或S; R1-R4在权利要求中定义为乙醛酸酯酶I和/或II的抑制剂，包含一个或多个式（I）化合物的制药组合物以及使用一个或多个式（I）化合物治疗与增加的糖酵解代谢相关的疾病。在一种实施方式中，该疾病是真菌感染。