Methyl 4-oxo-3-(3-pyridyl)-2-butenoate | 109151-41-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 4-oxo-3-(3-pyridyl)-2-butenoate
• 英文别名: trans-3-nicotinoyl-acrylic acid methyl ester；methyl (E)-3-nicotinoylacrylate；methyl (E)-4-oxo-4-pyridin-3-ylbut-2-enoate
• CAS: 109151-41-9
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: IHJHBENHAPEINI-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-oxo-3-(3-pyridyl)-2-butenoate 在 sodium hydroxide 作用下， 生成 4-氧代-4-(吡啶基)-2-丁烯酸
  参考文献：
  名称：

  Dal Pozzo, Alma; Acquasaliente, Mayrizo; Buraschi, Marinella, Synthesis, 1984, # 11, p. 926 - 927

  摘要：

  DOI：
• 作为产物：
  描述：

  3-Methanesulfinyl-4-oxo-4-pyridin-3-yl-butyric acid methyl ester 100.0 ℃ 、266.64 Pa 条件下， 以98%的产率得到Methyl 4-oxo-3-(3-pyridyl)-2-butenoate
  参考文献：
  名称：

  Dal Pozzo, Alma; Acquasaliente, Mayrizo; Buraschi, Marinella, Synthesis, 1984, # 11, p. 926 - 927

  摘要：

  DOI：

文献信息

• Carbonylacrylic derivatives as potential antimicrobial agents. Correlations between activity and reactivity toward cysteine
  作者：Alma Dal Pozzo、Maurizio Acquasaliente、Giovanni Donzelli、Paolo De Maria、M. Christina Nicoli

  DOI：10.1021/jm00392a026

  日期：1987.9

  A number of 3-carbonylacrylic acid derivatives were prepared, with a view to varying systematically the stereoelectronic environment of the conjugated double bond. The rates of reaction with cysteine were measured spectrophotometrically when possible or by stopped flow when very fast. Some of the final reaction products were isolated. Other properties examined were partition substituent constants and antimicrobial activity. On the basis of published data and these studies, the activity appears to be the combined effect of at least two mechanisms, one probably related to the effect of these structures on surface tension, the other to the electrophilic properties of the unsaturated system.
• DAL, POZZO, A.;ACQUASALIENTE, M.;BURASCHI, M.;ANDERSON, B. M., SYNTHESIS, BRD, 1984, N 11, 926-927
  作者：DAL, POZZO, A.、ACQUASALIENTE, M.、BURASCHI, M.、ANDERSON, B. M.

  DOI：——

  日期：——
• DAL, POZZO ALMA;ACQUASALIENTE, MAURIZIO;DONZELLI, GIOVANNI;DEMARIA, PAOLO+, J. MED. CHEM., 30,(1987) N 9, 1674-1677
  作者：DAL, POZZO ALMA、ACQUASALIENTE, MAURIZIO、DONZELLI, GIOVANNI、DEMARIA, PAOLO+

  DOI：——

  日期：——
• Dal Pozzo, Alma; Acquasaliente, Mayrizo; Buraschi, Marinella, Synthesis, 1984, # 11, p. 926 - 927
  作者：Dal Pozzo, Alma、Acquasaliente, Mayrizo、Buraschi, Marinella、Anderson, Bruce M.

  DOI：——

  日期：——