3-(4-Methoxy-phenyl)-4-oxo-4-phenyl-butyric acid | 286462-34-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 3-(4-Methoxy-phenyl)-4-oxo-4-phenyl-butyric acid
• CAS: 286462-34-8
• 化学式: C₁₇H₁₆O₄
• 分子量: 284.312
• InChiKey: ALGACEJWIFKKTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(4-Methoxy-phenyl)-4-oxo-4-phenyl-butyric acid 在 一水合肼 作用下， 以 乙醇 为溶剂， 以46%的产率得到5-(4-Methoxy-phenyl)-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351
• 作为产物：
  描述：

  4-甲氧基苯乙酰氯 在 sodium hydroxide 、 三氯化铝 、 sodium hydride 作用下， 以 乙醇 、 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 2.0h， 生成 3-(4-Methoxy-phenyl)-4-oxo-4-phenyl-butyric acid
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351