(Z)-2-methyl-4-(4-methylphenyl)-4-oxobut-2-enoic acid | 35509-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-2-methyl-4-(4-methylphenyl)-4-oxobut-2-enoic acid
• CAS: 35509-83-2
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: GVZFSNIWFXMNSU-CLFYSBASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  L-半胱氨酸 、 (Z)-2-methyl-4-(4-methylphenyl)-4-oxobut-2-enoic acid 在 phosphate buffer 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  Carbonylacrylic derivatives as potential antimicrobial agents. Correlations between activity and reactivity toward cysteine

  摘要：

  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.

  DOI：

  10.1021/jm00392a026

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.