4-(4-chlorophenyl)isobutyrophenone | 58158-34-2

• 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: 4-(4-chlorophenyl)isobutyrophenone
• 英文别名: 1-[4-(4-Chlorophenyl)phenyl]-2-methylpropan-1-one
• CAS: 58158-34-2
• 化学式: C₁₆H₁₅ClO
• 分子量: 258.748
• InChiKey: LHFHVELJLASQGR-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C(Solvent: Ligroine)
• 沸点：
  374.2±17.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)isobutyrophenone 在 溴 作用下， 以 氯仿 为溶剂， 生成 2-Bromo-1-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-one
  参考文献：
  名称：

  Antimalarials. 8. Synthesis of amino ethers as candidate antimalarials

  摘要：

  Based upon the antimalarial activities demonstrated by compounds I and II a series of amino ethers represented by structures III-VI was synthesized. These structures incorporated several modifications of compound II. The compounds prepared displayed no activity in either the Rane P. berghei mouse screen or the Rane P. gallinaceum sporozoite-induced chick test.

  DOI：

  10.1021/jm00225a003
• 作为产物：
  描述：

  异丁酸酐 、 4-氯联苯 在 三氯化铝 作用下， 以 二硫化碳 为溶剂， 生成 4-(4-chlorophenyl)isobutyrophenone
  参考文献：
  名称：

  Antimalarials. 8. Synthesis of amino ethers as candidate antimalarials

  摘要：

  Based upon the antimalarial activities demonstrated by compounds I and II a series of amino ethers represented by structures III-VI was synthesized. These structures incorporated several modifications of compound II. The compounds prepared displayed no activity in either the Rane P. berghei mouse screen or the Rane P. gallinaceum sporozoite-induced chick test.

  DOI：

  10.1021/jm00225a003

文献信息

• LAMONTAGNE M. P.; AO M. S.; MARKOVAC A.; MENKE J. R., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 3, 360-365
  作者：LAMONTAGNE M. P.、 AO M. S.、 MARKOVAC A.、 MENKE J. R.

  DOI：——

  日期：——
• US4304788A
  申请人：——

  公开号：US4304788A

  公开（公告）日：1981-12-08
• Antimalarials. 8. Synthesis of amino ethers as candidate antimalarials
  作者：M. P. LaMontagne、M. S. Ao、A. Markovac、J. R. Menke

  DOI：10.1021/jm00225a003

  日期：1976.3

  Based upon the antimalarial activities demonstrated by compounds I and II a series of amino ethers represented by structures III-VI was synthesized. These structures incorporated several modifications of compound II. The compounds prepared displayed no activity in either the Rane P. berghei mouse screen or the Rane P. gallinaceum sporozoite-induced chick test.