1-(2,4-dichloro-3-ethylphenyl)ethanone | 258345-76-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dichloro-3-ethylphenyl)ethanone
• CAS: 258345-76-5
• 化学式: C₁₀H₁₀Cl₂O
• 分子量: 217.095
• InChiKey: VVHKJYBNRKBTMS-UHFFFAOYSA-N

物化性质

• 沸点：
  289.2±40.0 °C(Predicted)
• 密度：
  1.221±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichloro-3-ethylphenyl)ethanone 在 硫酸 、 硝酸 作用下， 反应 0.75h， 以70.5%的产率得到2,4-dichloro-3-ethyl-5-nitrobenzoic acid
  参考文献：
  名称：

  Studies on 6-Aminoquinolones: synthesis and antibacterial evaluation of 6-amino-8-ethyl- and 6-amino-8-methoxyquinolones

  摘要：

  From our quantitative structure-activity relationship (QSAR) study on a large set of 6-aminoquinolones, which indicated that a group larger than methyl could be allocated at C-8 position, we have synthesized two new series of 6-aminoquinolones characterized by the presence of an ethyl or a methoxy group at C-8 position. The antibacterial evaluation shows that, while the 8-ethyl derivatives were devoid of any antibacterial activity, the introduction of methoxy group gave compounds with good antibacterial activity, especially against Gram-positive bacteria. A tentative explanation of the different behaviours among the 8-substituted analogues is given taking into account both the length and electronic properties of the C-8 groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00207-2
• 作为产物：
  描述：

  1,3-dichloro-2-(1,2-dibromoethyl)benzene 在 sodium tetrahydroborate 、 三氯化铝 作用下， 以 二甲基亚砜 为溶剂， 反应 2.67h， 生成 1-(2,4-dichloro-3-ethylphenyl)ethanone
  参考文献：
  名称：

  Studies on 6-Aminoquinolones: synthesis and antibacterial evaluation of 6-amino-8-ethyl- and 6-amino-8-methoxyquinolones

  摘要：

  From our quantitative structure-activity relationship (QSAR) study on a large set of 6-aminoquinolones, which indicated that a group larger than methyl could be allocated at C-8 position, we have synthesized two new series of 6-aminoquinolones characterized by the presence of an ethyl or a methoxy group at C-8 position. The antibacterial evaluation shows that, while the 8-ethyl derivatives were devoid of any antibacterial activity, the introduction of methoxy group gave compounds with good antibacterial activity, especially against Gram-positive bacteria. A tentative explanation of the different behaviours among the 8-substituted analogues is given taking into account both the length and electronic properties of the C-8 groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00207-2