3-(4-氯苯基)-1-(3,4-二氯苯基)-1-丙酮 | 296271-46-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 3-(4-氯苯基)-1-(3,4-二氯苯基)-1-丙酮
• 英文名称: 3-(4-Chlorophenyl)-3',4'-dichloropropiophenone
• 英文别名: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
• CAS: 296271-46-0
• 化学式: C₁₅H₁₁Cl₃O
• 分子量: 313.611
• InChiKey: TWAUQKNISTVTKD-UHFFFAOYSA-N

物化性质

• 沸点：
  443.5±45.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为产物：
  描述：

  3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one 在 tris(triphenylphosphine)ruthenium(II) chloride 、 乙二醇 作用下， 反应 7.0h， 生成 3-(4-氯苯基)-1-(3,4-二氯苯基)-1-丙酮
  参考文献：
  名称：

  Homogeneous RuCl₂(PPh₃)₃-Catalyzed Regioselective Liquid-Phase Transfer Hydrogenation of Carbon−Carbon Double Bond in Chlorobenzylidene Ketones with Ethylene Glycol as Hydrogen Donor

  摘要：

  The regioselective transfer hydrogenation of a carbon-carbon double bond of different chlorobenzylidene ketones is effectuated in ethylene glycol with a very high selectivity in the presence of homogeneous, tris(triphenylphosphine)ruthenium-(II) chloride catalyst. Different important process parameters such as temperature, catalyst loading, and reaction period are studied. The reaction follows a first order kinetics, and the energy of activation was found to be 52 kJ/mol.

  DOI：

  10.1021/op0000327

文献信息

• Homogeneous RuCl₂(PPh₃)₃-Catalyzed Regioselective Liquid-Phase Transfer Hydrogenation of Carbon−Carbon Double Bond in Chlorobenzylidene Ketones with Ethylene Glycol as Hydrogen Donor
  作者：Sudip Mukhopadhyay、Anan Yaghmur、Axel Benichou、Yoel Sasson

  DOI：10.1021/op0000327

  日期：2000.11.1

  The regioselective transfer hydrogenation of a carbon-carbon double bond of different chlorobenzylidene ketones is effectuated in ethylene glycol with a very high selectivity in the presence of homogeneous, tris(triphenylphosphine)ruthenium-(II) chloride catalyst. Different important process parameters such as temperature, catalyst loading, and reaction period are studied. The reaction follows a first order kinetics, and the energy of activation was found to be 52 kJ/mol.