ethyl (Z)-2-benzyloxyimino-3-oxobutanoate | 71978-52-4

• 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
• 英文名称: ethyl (Z)-2-benzyloxyimino-3-oxobutanoate
• 英文别名: Ethyl (Z)-2-(benzyloxyimino)-3-oxobutyrate；ethyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
• CAS: 71978-52-4
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: CEADWDFQIWMXQB-OWBHPGMISA-N

物化性质

• 沸点：
  350.0±35.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (Z)-2-benzyloxyimino-3-oxobutanoate 生成 2-[(Z)-Benzyloxyimino]-4-bromo-3-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  HITZEL, V.;LATTRELL, R.;BORMANN, D.

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 2-(hydroxyimino)-3-oxybutyrate 、 溴甲苯 以to give the title compound (2.94 g)的产率得到ethyl (Z)-2-benzyloxyimino-3-oxobutanoate
  参考文献：
  名称：

  Aminothiazole substituted penicillins and antibacterial compositions

  摘要：

  本发明提供了公式(I)的化合物，或其药学上可接受的盐或体内可水解的酯：##STR1## 其中R.sup.1是氢或氨基保护基，R是取代的甲基；可选取代的C.sub.2-12烷基，烯基或炔基；碳环基；芳基或杂环基。这些化合物具有抗菌性质，因此可用于治疗由多种生物引起的人类和动物细菌感染。

  公开号：

  US04816452A1

文献信息

• Cephem compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0007633A2

  公开（公告）日：1980-02-06

  A compound of the formula: wherein R1 is amino or protected amino, R2 is lower alkyl substituted with a substituent selected from the groups consisting of cyano, carbamoyl, hydroxy, protected hydroxy. amino. protected amino, lower alkoxy, lower alkylthio, lower alkenylthio, aryl which may have one or more suitable substituent(s). and heterocyclic group which may have one or more suitable substituent(s), R3 is carboxy or functionally modified carboxy, and R4 is hydrogen or halogen and its pharmaceutically acceptable salt and pharmaceutically acceptable bioprecursor thereof and process for their preparation. The invention also relates to a pharmaceutical composition comprising. as an effective ingredient, the above com. pound in association with a pharmaceutically acceptable, substantially nontoxic carrier or excipient. and to a method for treating an infectious disease caused by pathogenes, which comprises administering the above compound to infected human being or animals.

  式中的化合物： 其中 R1 是氨基或保护氨基、 R2是被选自以下组别的取代基取代的低级烷基：氰基、氨基甲酰基、羟基、受保护羟基、氨基、受保护氨基、低级烷氧基、低级烷硫基、低级烯硫基、可具有一个或多个合适取代基的芳基和可具有一个或多个合适取代基的杂环基、 R3 是羧基或官能修饰的羧基，以及 R4 是氢或卤素 及其药学上可接受的盐和药学上可接受的生物前体及其制备工艺。 本发明还涉及一种药物组合物，其有效成分包括与药学上可接受的、基本上无毒的载体或赋形剂一起使用的上述化合物；本发明还涉及一种治疗由病原体引起的传染病的方法，该方法包括将上述化合物施用于受感染的人或动物。
• Thiazole derivatives for preparing cephem compounds and processes for their preparation
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0049539A1

  公开（公告）日：1982-04-14

  New intermediate compounds for preparing cephem compounds, particularly of the formula and its ester and salt thereof. The intermediate compounds can be prepared by different processes, and the cephem compounds, which possess valuable pharmacological properties, can be prepared from such new intermediate compounds.

  用于制备头孢类化合物的新型中间体化合物，特别是式及其酯和盐。 这些中间体化合物可以通过不同的工艺制备，而具有重要药理特性的头孢类化合物可以从这些新型中间体化合物中制备出来。
• Diastereoselective reduction of E and Z α-alkoxyimino-β-ketoesters by sodium borohydride
  作者：Ivan R Corrêa、Paulo J.S Moran

  DOI：10.1016/s0040-4020(99)00897-2

  日期：1999.12

  The reduction of (Z)-alpha-alkoxyimino-beta-ketoesters, R1COC(=NOR3)CO2R2 (R-1=Me, Et, MeOCH2, Ph; R-2=Me, Et, PhCH2, R-3=Me, PhCH2) with NaBH4/THF-MeOH at 0 degrees C gave the corresponding (Z)-alpha-alkoxyimino-beta-hydroxyesters in 72-85% yield while the E isomers gave a mixture of corresponding (Z)- and (E)-2-alkoxyimino-1,3-diols in 71-85% yield. The (E)-alpha-alkoxyimino-beta-hydroxyesters were obtained in 71-85% yield when the reaction temperature was -72 degrees C. The C-13-NMR and IR spectra of (E)- and (Z)-alpha-oxyimino-beta-ketoesters and (E)- and (Z)-alpha-alkoxyimino-beta-ketoesters, were used for determination of E/Z configuration. The C-gamma signals in C-13-NMR of Z are shifted to higher field and the IR spectra of E isomers show a splitting of C=O ester band. (C) 1999 Elsevier Science Ltd. All rights reserved.
• HITZEL, V.;LATTRELL, R.;BORMANN, D.
  作者：HITZEL, V.、LATTRELL, R.、BORMANN, D.

  DOI：——

  日期：——
• US4284631A
  申请人：——

  公开号：US4284631A

  公开（公告）日：1981-08-18