3-(4-氯苯基)-4-氧代-4-苯基丁酸 | 433330-74-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 3-(4-氯苯基)-4-氧代-4-苯基丁酸
• 英文名称: 3-(4-chloro-phenyl)-4-oxo-4-phenyl-butyric acid
• 英文别名: 3-(4-Chlor-phenyl)-4-oxo-4-phenyl-buttersaeure；3-(4-Chlorophenyl)-4-oxo-4-phenylbutanoic acid；3-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
• CAS: 433330-74-6
• 化学式: C₁₆H₁₃ClO₃
• 分子量: 288.73
• InChiKey: OFYKEXXOPOBMEG-UHFFFAOYSA-N

物化性质

• 熔点：
  166 °C
• 沸点：
  466.4±35.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  3-(4-氯苯基)-4-氧代-4-苯基丁酸 在 一水合肼 、 sodium 3-nitrobenzenesulfonate 、 三氯氧磷 作用下， 以 sodium hydroxide 、 乙醇 为溶剂， 反应 7.0h， 生成 [5-(4-Chloro-phenyl)-6-phenyl-pyridazin-3-yl]-nonyl-amine
  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：

  2-(4-氯苯基)-1-苯乙酮 在 sodium hydroxide 、 sodium hydride 作用下， 以 乙醇 、 二甲基亚砜 、 甲苯 为溶剂， 反应 2.0h， 生成 3-(4-氯苯基)-4-氧代-4-苯基丁酸
  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

文献信息

• Wali et al., Proceedings - Indian Academy of Sciences, Section A, 1941, # 14, p. 139,143
  作者：Wali et al.

  DOI：——

  日期：——
• Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors
  作者：Lucio Toma、Maria Paola Giovannoni、Vittorio Dal Piaz、Byoung-Mog Kwon、Young-Kook Kim、Arianna Gelain、Daniela Barlocco

  DOI：10.3987/com-01-9351

  日期：——

  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.