2-acetoxybutanoic acid | 19947-43-4

• 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: 2-acetoxybutanoic acid
• 英文别名: DL-2-acetoxybutanoic acid；2-acetoxy-butyric acid；α-Acetoxy-buttersaeure；2-Acetoxy-buttersaeure；2-acetyloxybutanoic acid
• CAS: 19947-43-4
• 化学式: C₆H₁₀O₄
• mdl: MFCD19228770
• 分子量: 146.143
• InChiKey: GELZYBXBKFHYEN-UHFFFAOYSA-N

物化性质

• 熔点：
  43 °C
• 沸点：
  241.7±23.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（轻微，超声处理），DMSO（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-acetoxybutanoic acid 在 氯化亚砜 、 异丙基溴化镁 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 2.0h， 生成 ethyl 4-acetoxy-3-oxohexanoate
  参考文献：
  名称：

  Crombie, Leslie; Jones, Raymond C. F.; Palmer, Christopher J., Journal of the Chemical Society. Perkin transactions I, 1987, p. 333 - 344

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酸酐 、 DL-2-羟基丁酸 在 silica gel 、 氯仿 作用下， 以 吡啶 为溶剂， 反应 0.17h， 以to give 7.01 g (yield, 100%) of 2-acetoxybutyric acid的产率得到2-acetoxybutanoic acid
  参考文献：
  名称：

  Hexitol derivatives

  摘要：

  一种由式(I)表示的己醇衍生物，其中R代表氢、未取代或取代较低烷基的环烷基、较低烯基、较低烷氧基、较低酰基、哌啶基或##STR2##其中m和n各自独立地表示0到3的整数；X、Y和Z各自独立地表示氢、较低烷基、较低烷氧基、较低酰基、较低酰氧基、羟基、卤素或硝基或其药学上可接受的盐。

  公开号：

  US05120737A1

文献信息

• Conversion of Methyl-2-Acetoxy Propionate to Methyl Acrylate and Acrylic Acid
  申请人：Godlewski Jane Ellen

  公开号：US20130296602A1

  公开（公告）日：2013-11-07

  Disclosed herein is a method that includes contacting (a) a gaseous mixture that includes (i) an inert gas and (ii) a vaporized liquid feed containing methyl-2-acetoxy propionate (MAPA) and an excipient, with (b) a material having a surface acidity of about 5 micromoles per gram (μmol/g) or less and a surface basicity of about 15 μmol/g or less, under conditions sufficient to produce a conversion product that includes methyl acrylate in a molar yield of at least about 85% from MAPA. The excipient is selected from the group consisting of acetic acid, formic acid, methyl acetate, lactic acid, carbon dioxide, and mixtures thereof. This method now makes possible the ability to further process the manufactured methyl acrylate into acrylic acid by either of two general routes that ultimately produce acrylic acid in a molar yield of at least about 80% from methyl acrylate and, preferably, substantially free of propanoic acid.

  本文披露了一种方法，包括将（a）包含（i）惰性气体和（ii）含有甲基-2-乙酰氧基丙酸酯（MAPA）和辅料的蒸发液体进料的气体混合物与（b）具有表面酸度约为每克5微摩尔（μmol/g）或更低和表面碱度约为每克15微摩尔（μmol/g）或更低的材料接触，在足以产生包括至少约85%的MAPA中的甲基丙烯酸酯的摩尔产率的转化产物的条件下。辅料选自乙酸、甲酸、乙酸甲酯、乳酸、二氧化碳和它们的混合物组成的组。该方法现在使得能够进一步将制造的甲基丙烯酸酯通过两种通用路线之一加工成丙烯酸成为可能，最终从甲基丙烯酸酯中产生至少约80%的丙烯酸的摩尔产率，并且最好基本上不含丙酸。
• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES ET INHIBITEURS DE JAK
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2013024895A1

  公开（公告）日：2013-02-21

  Novel tricyclic pyrimidine compounds and tricyclic pyridine compounds having JAK inhibitory activities are provided. A tricyclic heterocyclic compound represented by the formula (Ia): wherein the rings Aa and Ba, Xa, Ya, R1a, R2a, R3a, L1a, L2a, L3a and na are as defined in the description.

  本发明提供了具有JAK抑制活性的新型三环嘧啶化合物和三环吡啶化合物。其中一种三环杂环化合物的化学式为（Ia）：其中环Aa和Ba，Xa，Ya，R1a，R2a，R3a，L1a，L2a，L3a和na的定义如描述中所述。
• Hexitol derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US05120737A1

  公开（公告）日：1992-06-09

  A hexitol derivative represented by formula (I) ##STR1## wherein R represents hydrogen, unsubstituted or lower alkyl-substituted cycloalkyl, lower alkenyl, lower alkoxy, lower alkanoyl, piperidyl or ##STR2## wherein each of m and n independently represents an integer of 0 to 3; each of X, Y and Z independently represents hydrogen, lower alkyl, lower alkoxy, lower alkanoyl, lower alkanoyloxy, hydroxyl, halogen or nitro or a pharmaceutically acceptable salt thereof.

  一种由式(I)表示的己醇衍生物，其中R代表氢、未取代或取代较低烷基的环烷基、较低烯基、较低烷氧基、较低酰基、哌啶基或##STR2##其中m和n各自独立地表示0到3的整数；X、Y和Z各自独立地表示氢、较低烷基、较低烷氧基、较低酰基、较低酰氧基、羟基、卤素或硝基或其药学上可接受的盐。
• Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof
  申请人：CARDIOXYL PHARMACEUTICALS, INC.

  公开号：US20130045951A1

  公开（公告）日：2013-02-21

  The invention relates to nitroso derivatives including carboxylic acid and phosphoric acid esters of hydroxy nitroso compounds that donate nitroxyl (HNO) under physiological conditions. The compounds and compositions of the invention are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure, ischemia/reperfusion injury and cancer.

  本发明涉及一种亚硝基衍生物，包括羧酸和磷酸酯的羟基亚硝基化合物，可在生理条件下捐赠亚硝基（HNO）。该发明的化合物和组合物在治疗和/或预防对亚硝基疗法有反应的疾病或状况的发生和/或发展方面是有用的，包括心衰、缺血/再灌注损伤和癌症。
• USE OF ENREROCOCCUS FAECIUM STRAINS FOR CURING HEPATIC INSUFFICIENCY AND FOR REGENERATING AND INTENSIFYING METABOLISM IN A LIVER
  申请人：Obschestvo S Ogranichennoi Otvetstvennostyu Alef- Farma

  公开号：EP1666050A1

  公开（公告）日：2006-06-07

  The invention relates to the use of enterococcus faecium (VKPM B-3490) and enterococcus faecium M-3185 (VKPM B-349i) strains, a composition and a Bilaktin preparation based on said stains for curing a hepatic insufficiency which is exhibited by hepatodepressive, cytolytic and cholestatic syndromes and by intrahepatic portal hypertension during hepatic diseases and liver injury, for liver regeneration, preventing overstress in extreme environment conditions, for improving the aerobic productivity of an organism, for increasing a lipid participation in energy supply and for improving correlation between a muscle and fatty mass. Said invention also relates to a method for treating and preventing a hepatic insufficiency exhibited by hepatodepressive, cytolytic and cholestatic syndromes and by intrahepatic portal hypertension during hepatic diseases and liver injury and to a method for improving the aerobic productivity of an organism, for increasing a lipid participation in energy supply and for improving the relation between a muscle and fatty mass.

  本发明涉及粪肠球菌（VKPM B-3490）和粪肠球菌 M-3185（VKPM B-349i）菌株、基于上述染色剂的组合物和 Bilaktin 制剂在治疗肝功能不全方面的用途、细胞溶解和胆汁淤积综合征以及肝病和肝损伤时肝内门静脉高压症所表现的肝功能不全，用于肝脏再生，防止极端环境条件下的过度应激，提高生物体的有氧生产率，增加脂质在能量供应中的参与，以及改善肌肉和脂肪量之间的相关性。本发明还涉及一种治疗和预防肝病和肝损伤期间的肝郁、细胞溶解和胆汁淤积综合征以及肝内门静脉高压症所表现的肝功能不全的方法，以及一种提高机体有氧生产率、增加脂质参与能量供应和改善肌肉与脂肪量之间关系的方法。