甲基5-(4-甲氧基苯基)-3,5-二氧代戊酸酯 | 36568-14-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 甲基5-(4-甲氧基苯基)-3,5-二氧代戊酸酯
• 英文名称: methyl 5-(4-methoxyphenyl)-3,5-dioxopentanoate
• CAS: 36568-14-6
• 化学式: C₁₃H₁₄O₅
• 分子量: 250.251
• InChiKey: NAZWURQNMUDKDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  甲基5-(4-甲氧基苯基)-3,5-二氧代戊酸酯 在 盐酸 作用下， 生成 5-(4-甲氧基苯基)-3,5-二氧代戊烷酸
  参考文献：
  名称：

  β-酮酯二价阴离子的酰化

  摘要：

  已经开发了一种成功酰化简单 β-酮酯的二价阴离子以产生 β,δ-二酮酯的方法。乙酰乙酸甲酯的双阴离子也与甲基的单阴离子反应...

  DOI：

  10.1139/v74-205
• 作为产物：
  描述：

  1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene 、 对甲氧基苯甲酰氯 在 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 以42%的产率得到甲基5-(4-甲氧基苯基)-3,5-二氧代戊酸酯
  参考文献：
  名称：

  Synthesis and characterization of permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds

  摘要：

  Permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds were prepared and structurally characterized. 2,2,4,4-Tetramethyl-3,5-dioxoesters were prepared by condensation of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with acid chlorides and subsequent reaction with methyl iodide. 2,2,4,4,6,6-Hexa-substituted 3,5-dioxopimelates were prepared by condensation of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with methyl 3-chloro-3-oxopropanoate and subsequent methylation. The use of caesium carbonate as the base for the methylation proved to be important to achieve good yields. The conformation of the products was studied by experimental and theoretical methods (DFT calculations). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.065

文献信息

• The Acylation of β-Keto Ester Dianions
  作者：Stuart Nicholas Huckin、Larry Weiler

  DOI：10.1139/v74-205

  日期：1974.4.15

  A method for the successful acylation of the dianion of simple β-keto esters to yield β,δ-diketo esters has been developed. The dianion of methyl acetoacetate also reacts with the monoanion of meth...

  已经开发了一种成功酰化简单 β-酮酯的二价阴离子以产生 β,δ-二酮酯的方法。乙酰乙酸甲酯的双阴离子也与甲基的单阴离子反应...
• Synthesis and characterization of permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds
  作者：Silke Erfle、Thomas Rahn、Franziska Bendrath、Wolfgang Baumann、Dirk Michalik、Haijun Jiao、Anke Spannenberg、Armin Börner、Peter Langer

  DOI：10.1016/j.tet.2011.08.065

  日期：2011.11

  Permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds were prepared and structurally characterized. 2,2,4,4-Tetramethyl-3,5-dioxoesters were prepared by condensation of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with acid chlorides and subsequent reaction with methyl iodide. 2,2,4,4,6,6-Hexa-substituted 3,5-dioxopimelates were prepared by condensation of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with methyl 3-chloro-3-oxopropanoate and subsequent methylation. The use of caesium carbonate as the base for the methylation proved to be important to achieve good yields. The conformation of the products was studied by experimental and theoretical methods (DFT calculations). (C) 2011 Elsevier Ltd. All rights reserved.