ethyl 2-acetyl-4-ethoxybutanoate | 26448-88-4

• 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 2-acetyl-4-ethoxybutanoate
• 英文别名: 2-(2-ethoxy-ethyl)-acetoacetic acid ethyl ester；2-(2-Aethoxy-aethyl)-acetessigsaeure-aethylester；ethyl 2-(2-ethoxyethyl)-3-oxobutanoate
• CAS: 26448-88-4
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: GWQAQJDLXCORHY-UHFFFAOYSA-N

物化性质

• 沸点：
  85-90 °C(Press: 10 Torr)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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-4-ethoxybutanoate 在 硫酸 、 溶剂黄146 作用下， 生成 6-ethoxy-2-cyano-3-methyl-hex-2-enoic acid ethyl ester
  参考文献：
  名称：

  Dutta, Journal of the Indian Chemical Society, 1940, vol. 17, p. 613,617

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴乙基乙基醚 、 乙酰乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 18.5h， 以40%的产率得到ethyl 2-acetyl-4-ethoxybutanoate
  参考文献：
  名称：

  Revised Pharmacophore Model for 5-HT_2A Receptor Antagonists Derived from the Atypical Antipsychotic Agent Risperidone

  摘要：

  Pharmacophore models for 5-HT2A receptor antagonists consist of two aromatic/hydrophobic regions at a given distance from a basic amine. We have previously shown that both aromatic/hydrophobic moieties are unnecessary for binding or antagonist action. Here, we deconstructed the 5-HT2A receptor antagonist/serotonin-dopamine antipsychotic agent risperidone into smaller structural segments that were tested for 5-HT2A receptor affinity and function. We show, again, that the entire risperidone structure is unnecessary for retention of affinity or antagonist action. Replacement of the 6-fluoro-3-(4-piperidinyl)-1,2-benz[d]-isoxazole moiety by isosteric tryptamines resulted in retention of affinity and antagonist action. Additionally, 3-(4-piperidinyl)-1,2-benz[d]isoxazole (10), which represents less than half the structural features of risperidone, retains both affinity and antagonist actions. 5-HT2A receptor homology modeling/docking studies suggest that 10 binds in a manner similar to risperidone and that there is a large cavity to accept various N-4-substituted. analogues of 10 such as risperidone and related agents. Alterations of this "extended" moiety improve receptor binding and functional potency. We propose a new risperidone-based pharmacophore for 5-HT2A receptor antagonist action.

  DOI：

  10.1021/acschemneuro.8b00637

文献信息

• Vitamin a derivatives and method of making same
  申请人：RESEARCH CORP

  公开号：US02369159A1

  公开（公告）日：1945-02-13
• Clarke; Gurin, Journal of the American Chemical Society, 1935, vol. 57, p. 1879
  作者：Clarke、Gurin

  DOI：——

  日期：——
• A GENERAL SYNTHESIS FOR 2,3-DISUBSTITUTED AND 2,3,6-TRISUBSTITUTED 5-HYDROXYPYRAZINES
  作者：YOLANDA A. TOTA、ROBERT C. ELDERFIELD

  DOI：10.1021/jo01198a003

  日期：1942.7
• 52. The synthesis of antimalarial compounds related to niquidine. Part II. Synthesis of a dihydro-x-niquidine
  作者：T. S. Work

  DOI：10.1039/jr9460000197

  日期：——
• Associations Between Egg Production and Clutch Length in Four Selected Lines of Chickens
  作者：H.O. Pavlidis、S.E. Price、P.B. Siegel

  DOI：10.1093/japr/11.3.304

  日期：2002.10

  The use of partial records to measure egg production of pedigree breeders has numerous advantages including reduced labor and generation interval. Maintaining egg production in an era where emphasis in breeding programs involves yield and feed conversion presents a challenge to primary breeders. Because breeders obtain individual egg production records, interest in the possibility of using the association of various measures of clutch length with intensity of egg production has been renewed. The correlation of maximum clutch length (prime sequence) throughout lay and during the first 10, 15, and 30 d of lay with percentage hen-day ovulations and normal eggs in four lines (two White Leghorn and two White Plymouth Rock) of chickens during each of 2 yr was measured. Although the rankings of the lines were generally consistent both years for all traits measured, correlations among the sequence lengths with percentage hen-day ovulations and normal eggs were line specific. Thus, poultry breeders would have to determine which of these measures is most appropriate for inclusion with other measures of egg production for each of their specific lines.