ethyl 3-thioxobutanoate | 7740-33-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-thioxobutanoate
• 英文别名: Thioacetessigsaeure-ethylester；Thioacetylessigsaeure-aethylester；Butanoic acid, 3-thioxo-, ethyl ester；ethyl 3-sulfanylidenebutanoate
• CAS: 7740-33-2
• 化学式: C₆H₁₀O₂S
• 分子量: 146.21
• InChiKey: SWAGLDNLSXGNLF-UHFFFAOYSA-N

物化性质

• 沸点：
  128°C (estimate)
• 密度：
  1.0554

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-thioxobutanoate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 2-Butenoic acid, 3-mercapto-, ethyl ester, sodium salt
  参考文献：
  名称：

  One-Step Construction of 6-Aza-2-thiabicyclo[3.3.1]nona-3,7-diene Framework

  摘要：

  The 6-aza-2-thiabicyclo[3.3.1]nona-3,7-diene framework was constructed upon treatment of dielectrophilic 3,5-dinitro-1-methyl-2-pyridone with S,C-dinucleophilic ethyl 3-thioxobutanoate, in which two moieties are connected by forming two bonds in the single manipulation.

  DOI：

  10.3987/com-10-11998
• 作为产物：
  描述：

  乙酰乙酸乙酯 在 盐酸 、 硫化氢 作用下， 生成 ethyl 3-thioxobutanoate
  参考文献：
  名称：

  用面包酵母立体选择性还原硫代羰基化合物

  摘要：

  用面包酵母还原3-硫代-丁酸，-戊酸和-己酸的烷基酯，2-硫代-1-环戊烷氧羰酸乙酯和2-辛烷硫酮，以得到光学活性的硫醇。在速率和非对映选择性和对映选择性方面，该减少量与氧类似物的减少量平行，但通常，对映体过量（ee）值较小。研究了诸如底物浓度，酵母的生理条件（静止/发酵，新鲜/干燥/冷冻），底物修饰以及抑制剂的添加等对立体选择性的影响。底物浓度低，使用干酵母或冷冻酵母以及添加R酶抑制剂（丙烯酸乙酯和联乙酰）有利于S产物的形成。硫醇产物的产率受到所用所有底物的巯基广泛水解的限制。为了对不同底物的面包酵母还原中的对映体偏好进行有意义的填充比较，建议使用最大ee值低于某些（取决于底物的）底物/酵母比率的最大ee值。

  DOI：

  10.1016/s0957-4166(00)86212-6

文献信息

• Novel Cyanine Dyes: Synthesis, Characterization and Photosensitization-Structure Correlation
  作者：H. A. Shindy、M. A. El-Maghraby、F. M. Eissa

  DOI：10.1002/jccs.200200153

  日期：2002.12

  Novel furo, thieno and pyrrolo[2,3-b]pyrazole cyanine dyes were synthesized. The structure-photosensitization properties correlation of the dyes were examined in 95% ethanol solution by absorption spectroscopy. The chemical structure of the starting biheterocyclic compounds and their derived cyanine dyes were confirmed by elemental analysis, IR and 1 H NMR spectroscopy.

  合成了新型呋喃、噻吩和吡咯并[2,3-b]吡唑花青染料。用吸收光谱法在95%乙醇溶液中检测了染料的结构-光敏特性相关性。起始双杂环化合物及其衍生的花青染料的化学结构通过元素分析、IR 和 1 H NMR 光谱得到证实。
• Cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04888332A1

  公开（公告）日：1989-12-19

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The novel cephalosporin derivatives according to the present invention contain condensed heterocyclic groups, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring as substituents at the 3-position of the cephem skeleton, and a hydroxyimino, an alkyloxyimino or an acyloxyimino moiety as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against gram-negative bacteria and also against gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物、其制备方法、以新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体化合物和其制备方法。本发明的新型头孢菌素衍生物包含紧缩杂环基团，特别是三唑嘧啶环或噻唑嘧啶环作为头孢菌素骨架的3位取代基，并且在头孢菌素骨架的7位取代基是羟肟基、烷氧基肟基或酰氧基肟基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强大的抗菌活性。这些化合物对于治疗传染病非常有用。
• Intermediates cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US05064953A1

  公开（公告）日：1991-11-12

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The novel cephalosporin derivatives according to the present invention contain condensed heterocyclic groups, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring as substituents at the 3-position of the cephem skeleton, and a hydroxyimino, an alkyloxyimino or an acyloxyimino moiety as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against gram-negative bacteria and also against gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物，其制备方法，包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体化合物和其制备方法。本发明中的新型头孢菌素衍生物含有紧凑的杂环基团，特别是三唑嘧啶环或噻唑嘧啶环作为头孢菌素骨架的3位取代基，并且羟肟基，烷氧肟基或酰氧肟基作为头孢菌素骨架的7位取代基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。
• Jayakumar, N.; Natarajan, K., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1989, vol. 28, # 9, p. 801 - 803
  作者：Jayakumar, N.、Natarajan, K.

  DOI：——

  日期：——
• Bis(trimethylsilyl)sulfide based thionation of carbonyl compounds: Synthesis of thioketones.
  作者：Alessandro Degl'Innocenti、Antonella Capperucci、Alessandro Mordini、Gianna Reginato、Alfredo Ricci、Francesca Cerreta

  DOI：10.1016/0040-4039(93)89036-p

  日期：1993.1

  A wide range of thioketones may be conveniently obtained by silyl triflate promoted bis(trimethylsilyl)sulfide thionation of ketones.