ethyl 2-acetyl-5-(3-methoxyphenyl)pentanoate | 327621-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 2-acetyl-5-(3-methoxyphenyl)pentanoate
• 英文别名: 2-acetyl-5-(3-methoxy-phenyl)-valeric acid ethyl ester；2-Acetyl-5-(3-methoxy-phenyl)-valeriansaeure-aethylester；3-Oxo-2-<3-(3-methoxy-phenyl)-propyl>-buttersaeure-ethylester
• CAS: 327621-54-5
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: HSDOZMAHQXHERH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-acetyl-5-(3-methoxyphenyl)pentanoate 在 亚硝酸正戊酯 、 sodium ethanolate 作用下， 生成 2-hydroxyimino-5-(3-methoxy-phenyl)-valeric acid
  参考文献：
  名称：

  139.合成与甾醇有关的物质的实验。第XLIII部分

  摘要：

  DOI：

  10.1039/jr9440000503
• 作为产物：
  描述：

  1-iodo-3-(m-methoxyphenyl)propane 、 乙酰乙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以45%的产率得到ethyl 2-acetyl-5-(3-methoxyphenyl)pentanoate
  参考文献：
  名称：

  Hypervalent Iodine(III)-Induced Intramolecular Cyclization of α-(Aryl)alkyl-β-dicarbonyl Compounds:  A Convenient Synthesis of Benzannulated and Spirobenzannulated Compounds

  摘要：

  A novel hypervalent iodine(III)-induced direct intramolecular cyclization of alpha-(aryl)alkyl-beta -dicarbonyl compounds has been described. Both meta-and para-substituted phenol ether derivatives containing acyclic or cyclic 1,3-dicarbonyl moieties at the side chain undergo this reaction in a facile manner. The reactions afford benzannulated and spirobenzannulated compounds that are of biological importance. The reaction is found to be general, mild,: and high yielding. The mechanism: of the reaction has been shown to involve a cation radical intermediate.

  DOI：

  10.1021/jo000953f

文献信息

• METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0937703A1

  公开（公告）日：1999-08-25

  The present invention is directed to a method for purifying pyruvic acid compounds, which method comprises reacting a pyruvic acid compound of general formula (I): wherein R1 is an optionally substituted lower alkyl group, a lower alkenyl group, a lower alkynyl group, a cycloalkyl group, an aryl group, or a heterocyclic group, and R2 is a lower alkyl group, with a bisulfite of general formula (II):         MHSO3     (II) wherein M is NH4 or an alkali metal, to give a bisulfite adduct of the pyruvic acid compound and then decomposing the adduct with an acid. According to the present invention, pyruvic acid compounds can be purified by simple and easy procedures without using purification techniques such as distillation or column chromatography, and the above method is advantageous as a process for the production on an industrial scale.

  本发明涉及一种纯化丙酮酸化合物的方法，该方法包括使通式(I)的丙酮酸化合物反应： 其中 R1 是任选取代的低级烷基、低级烯基、低级炔基、环烷基、芳基或杂环基，R2 是低级烷基，与通式（II）的亚硫酸氢盐反应： MHSO3 (II) 其中 M 为 NH4 或碱金属，以得到丙酮酸化合物的亚硫酸氢盐加合物，然后用酸分解该加合物。根据本发明，丙酮酸化合物可以通过简单易行的程序进行纯化，而无需使用蒸馏或柱层析等纯化技术，上述方法作为一种工业规模的生产工艺是非常有利的。
• US6348617B1
  申请人：——

  公开号：US6348617B1

  公开（公告）日：2002-02-19
• 139. Experiments on the synthesis of substances related to the sterols. Part XLIII
  作者：Arthur J. Birch、Robert Robinson

  DOI：10.1039/jr9440000503

  日期：——
• Hypervalent Iodine(III)-Induced Intramolecular Cyclization of α-(Aryl)alkyl-β-dicarbonyl Compounds:  A Convenient Synthesis of Benzannulated and Spirobenzannulated Compounds
  作者：Mitsuhiro Arisawa、Namakkal G. Ramesh、Makiko Nakajima、Hirofumi Tohma、Yasuyuki Kita

  DOI：10.1021/jo000953f

  日期：2001.1.1

  A novel hypervalent iodine(III)-induced direct intramolecular cyclization of alpha-(aryl)alkyl-beta -dicarbonyl compounds has been described. Both meta-and para-substituted phenol ether derivatives containing acyclic or cyclic 1,3-dicarbonyl moieties at the side chain undergo this reaction in a facile manner. The reactions afford benzannulated and spirobenzannulated compounds that are of biological importance. The reaction is found to be general, mild,: and high yielding. The mechanism: of the reaction has been shown to involve a cation radical intermediate.