1-(2,3,4-三氟-5-甲基苯基)乙烷-1-酮 | 193533-94-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,3,4-三氟-5-甲基苯基)乙烷-1-酮
• 英文名称: 1-(2,3,4-Trifluoro-5-methyl-phenyl)-ethanone
• 英文别名: Ethanone, 1-(2,3,4-trifluoro-5-methylphenyl)-；1-(2,3,4-trifluoro-5-methylphenyl)ethanone
• CAS: 193533-94-7
• 化学式: C₉H₇F₃O
• 分子量: 188.149
• InChiKey: RWQVCLPHVZHKRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,3,4-三氟-5-甲基苯基)乙烷-1-酮 在 sodium hydroxide 、 正丁基锂 、 氯化亚砜 、 硫酸 、 溴 、 硝酸 、 乙酸酐 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 (Z)-3-Ethoxy-2-(2,3,4-trifluoro-5-methyl-6-nitro-benzoyl)-acrylic acid ethyl ester
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7
• 作为产物：
  描述：

  2,3,4-三氟苯胺 在 三氯化铝 、 氢溴酸 、 magnesium 、 copper(I) bromide 、 sodium nitrite 作用下， 生成 1-(2,3,4-三氟-5-甲基苯基)乙烷-1-酮
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7

文献信息

• Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones
  作者：Chang Yong Hong、Se Ho Kim、Young Kwan Kim

  DOI：10.1016/s0960-894x(97)00324-7

  日期：1997.7

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.